Chembase list of 866358 unique molecular structures

ID: 32051

hydroxy phenyl 4-methylbenzene-1-sulfonoperoxoyl iodide

$$$$ Data More

M. F.

C13H13IO4S

Suppliers	Catalog Number
Sigma Aldrich	301035 56517
Alfa Aesar	L15701
Matrix Scientific	034736

Database	Data ID
PubChem	325434

M. W.

392.20939

CAS

27126-76-7

Similarity

N/A

ID: 32052

6-methyl-2,3-bis(trifluoromethyl)pyridine

$$$$ Data

M. F.

C8H5F6N

Suppliers	Catalog Number
Matrix Scientific	034737

Database	Data ID
PubChem	37863465

M. W.

229.1224192

CAS

Similarity

N/A

ID: 32053

3-methyl-2-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C7H6F3N

Suppliers	Catalog Number
Matrix Scientific	034738

Database	Data ID
PubChem	22980787

M. W.

161.1244496

CAS

1620-78-6

Similarity

N/A

ID: 32054

4-nitrophenyl trifluoromethanesulfonate

$$$$ Data

M. F.

C7H4F3NO5S

Suppliers	Catalog Number
Sigma Aldrich	424102
Matrix Scientific	034739
Apollo Scientific	PC4316

Database	Data ID
PubChem	549870

M. W.

271.1705696

CAS

17763-80-3

Similarity

N/A

ID: 32055

6-(trifluoromethyl)pyridine-2-carbonyl chloride

$$$$ Data

M. F.

C7H3ClF3NO

Suppliers	Catalog Number
Matrix Scientific	034740
Maybridge	MAY00256

Database	Data ID
PubChem	37863468

M. W.

209.5530296

CAS

1099597-77-9

Similarity

N/A

ID: 32056

5-(trifluoromethyl)pyridine-3-carboxylic acid

$$$$ Data More

M. F.

C7H4F3NO2

Suppliers	Catalog Number
Matrix Scientific	034741
Apollo Scientific	PC9138
Bide Pharmatech	BD101438

Database	Data ID
PubChem	10976305

M. W.

191.1073696

CAS

131747-40-5

Similarity

N/A

ID: 32057

(5-chloropyridin-2-yl)boronic acid

$$$$ Data More

M. F.

C5H5BClNO2

Suppliers	Catalog Number
Alfa Aesar	H52515
Matrix Scientific	034742
Apollo Scientific	OR9343

Database	Data ID
PubChem	22832086

M. W.

157.3627

CAS

652148-91-9

Similarity

N/A

ID: 32058

4,6-difluoropyrimidine

$$$$ Data

M. F.

C4H2F2N2

Suppliers	Catalog Number
Matrix Scientific	034743
Apollo Scientific	PC3333
Enamine	EN300-112253

Database	Data ID
PubChem	137717

M. W.

116.0688864

CAS

2802-62-2

Similarity

N/A

ID: 32059

5-bromo-2,4-difluoropyrimidine

$$$$ Data

M. F.

C4HBrF2N2

Suppliers	Catalog Number
Matrix Scientific	034745

Database	Data ID
PubChem	2763284

M. W.

194.9649464

CAS

903131-29-3

Similarity

N/A

ID: 32060

oxane-4-carboxylic acid

$$$$ Data More

M. F.

C6H10O3

Suppliers	Catalog Number
ChemBridge	4004296
Matrix Scientific	034746
Maybridge	CC29901

Database	Data ID
PubChem	219302

M. W.

130.1418

CAS

5337-03-1

Similarity

N/A

ID: 32061

2,4,5-trifluoropyrimidine

$$$$ Data

M. F.

C4HF3N2

Suppliers	Catalog Number
Matrix Scientific	034747
Apollo Scientific	PC5990

Database	Data ID
PubChem	12797307

M. W.

134.0593496

CAS

17573-79-4

Similarity

N/A

ID: 32062

3,5-difluoropyridine-2-carbonitrile

$$$$ Data More

M. F.

C6H2F2N2

Suppliers	Catalog Number
Sigma Aldrich	736066
Alfa Aesar	L19724
Matrix Scientific	034749

Database	Data ID
PubChem	2783253

M. W.

140.0902864

CAS

298709-29-2

Similarity

N/A

ID: 32063

5-chloro-2,4-difluoropyrimidine

$$$$ Data

M. F.

C4HClF2N2

Suppliers	Catalog Number
Matrix Scientific	034750

Database	Data ID
PubChem	591662

M. W.

150.5139464

CAS

25151-07-9

Similarity

N/A

ID: 32064

4-bromo-2-methylbenzonitrile

$$$$ Data More

M. F.

C8H6BrN

Suppliers	Catalog Number
Sigma Aldrich	665320
Alfa Aesar	L10526
Matrix Scientific	034751

Database	Data ID
PubChem	144267

M. W.

196.04394

CAS

67832-11-5

Similarity

N/A

ID: 32065

4-acetyl-2-methylbenzonitrile

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Matrix Scientific	034752

Database	Data ID
PubChem	44119440

M. W.

159.18456

CAS

Similarity

N/A

ID: 32066

3-(piperazin-1-yl)propanenitrile

$$$$ Data More

M. F.

C7H13N3

Suppliers	Catalog Number
Sigma Aldrich	95947
Alfa Aesar	H50710
Matrix Scientific	034753

Database	Data ID
PubChem	2052050

M. W.

139.19822

CAS

34064-86-3

Similarity

N/A

ID: 32067

2-methyl-1-nitro-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	034754
Bide Pharmatech	BD76688
A&J Pharmtech	AJA-O6585

Database	Data ID
PubChem	144223

M. W.

205.1339496

CAS

67192-42-1

Similarity

N/A

ID: 32068

1-(4-aminopiperidin-1-yl)ethan-1-one hydrochloride

$$$$ Data More

M. F.

C7H15ClN2O

Suppliers	Catalog Number
Sigma Aldrich	728764
Alfa Aesar	H30389
Matrix Scientific	034755

Database	Data ID
PubChem	17221642

M. W.

178.6598

CAS

214147-48-5

Similarity

N/A

ID: 32069

(2,6-dichloro-5-fluoropyridin-3-yl)methanol

$$$$ Data

M. F.

C6H4Cl2FNO

Suppliers	Catalog Number
Matrix Scientific	034756

Database	Data ID
PubChem	23114857

M. W.

196.0064632

CAS

Similarity

N/A

ID: 32070

3-(trifluoromethyl)pyridine-2-carboxylic acid

$$$$ Data More

M. F.

C7H4F3NO2

Suppliers	Catalog Number
Matrix Scientific	034757
Key Organics	NA-0812
Apollo Scientific	PC9130

Database	Data ID
PubChem	13233844

M. W.

191.1073696

CAS

87407-12-3

Similarity

N/A

ID: 32071

2-bromo-4-(difluoromethyl)-1-fluorobenzene

$$$$ Data

M. F.

C7H4BrF3

Suppliers	Catalog Number
Sigma Aldrich	729973
Matrix Scientific	034758

Database	Data ID
PubChem	44631071

M. W.

225.0058696

CAS

886509-99-5

Similarity

N/A

ID: 32072

6-(trifluoromethyl)pyridine-3-sulfonyl chloride

$$$$ Data More

M. F.

C6H3ClF3NO2S

Suppliers	Catalog Number
Matrix Scientific	034759
Maybridge	MAY00261
TRC	T791535

Database	Data ID
PubChem	45594311

M. W.

245.6067296

CAS

959996-58-8

Similarity

N/A

ID: 32073

1-(difluoromethyl)-2-fluorobenzene

$$$$ Data

M. F.

C7H5F3

Suppliers	Catalog Number
Matrix Scientific	034761

Database	Data ID
PubChem	2761205

M. W.

146.1098096

CAS

Similarity

N/A

ID: 32074

2-(trifluoromethyl)pyrazine

$$$$ Data

M. F.

C5H3F3N2

Suppliers	Catalog Number
Sigma Aldrich	730025
Matrix Scientific	034762

Database	Data ID
PubChem	17888936

M. W.

148.0859296

CAS

61655-67-2

Similarity

N/A

ID: 32075

2,6-difluoropyridine-3-carboxylic acid

$$$$ Data

M. F.

C6H3F2NO2

Suppliers	Catalog Number
Matrix Scientific	034763
Apollo Scientific	PC9294
A&J Pharmtech	AJA-O23944

Database	Data ID
PubChem	10583070

M. W.

159.0903264

CAS

171178-50-0

Similarity

N/A

ID: 32076

5-bromo-2-chloropyridine-3-carboxylic acid

$$$$ Data More

M. F.

C6H3BrClNO2

Suppliers	Catalog Number
Matrix Scientific	034765
Key Organics	10W-0709
Apollo Scientific	OR6261

Database	Data ID
PubChem	2763342

M. W.

236.45052

CAS

29241-65-4

Similarity

N/A

ID: 32077

1-benzyl-4-(1,1-difluoroethyl)benzene

$$$$ Data

M. F.

C15H14F2

Suppliers	Catalog Number
Matrix Scientific	034767

Database	Data ID
PubChem	45790657

M. W.

232.2684664

CAS

Similarity

N/A

ID: 32078

1-(benzyloxy)-2-(1,1-difluoroethyl)benzene

$$$$ Data

M. F.

C15H14F2O

Suppliers	Catalog Number
Matrix Scientific	034768

Database	Data ID
PubChem	45790687

M. W.

248.2678664

CAS

Similarity

N/A

ID: 32079

2-bromo-4-(1,1-difluoroethyl)-1-fluorobenzene

$$$$ Data

M. F.

C8H6BrF3

Suppliers	Catalog Number
Matrix Scientific	034769

Database	Data ID
PubChem	45790644

M. W.

239.0324496

CAS

Similarity

N/A

ID: 32080

2-bromo-1-(1,1-difluoroethyl)-4-fluorobenzene

$$$$ Data

M. F.

C8H6BrF3

Suppliers	Catalog Number
Matrix Scientific	034770

Database	Data ID
PubChem	45790945

M. W.

239.0324496

CAS

Similarity

N/A

ID: 32081

1-bromo-2-[difluoro(phenyl)methyl]benzene

$$$$ Data

M. F.

C13H9BrF2

Suppliers	Catalog Number
Matrix Scientific	034771

Database	Data ID
PubChem	10221409

M. W.

283.1113664

CAS

Similarity

N/A

ID: 32082

1-chloro-3-(1,1-difluoroethyl)-2,4-difluorobenzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Matrix Scientific	034772

Database	Data ID
PubChem	45790632

M. W.

212.5719128

CAS

Similarity

N/A

ID: 32083

1-chloro-2-(1,1-difluoroethyl)-4,5-difluorobenzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Matrix Scientific	034773

Database	Data ID
PubChem	45790691

M. W.

212.5719128

CAS

Similarity

N/A

ID: 32084

1-chloro-4-(1,1-difluoroethyl)-2,5-difluorobenzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Matrix Scientific	034774

Database	Data ID
PubChem	45790624

M. W.

212.5719128

CAS

Similarity

N/A

ID: 32085

2-chloro-3-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene

$$$$ Data

M. F.

C9H8ClF3

Suppliers	Catalog Number
Matrix Scientific	034775

Database	Data ID
PubChem	45790646

M. W.

208.6080296

CAS

Similarity

N/A

ID: 32086

1-chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene

$$$$ Data

M. F.

C9H8ClF3

Suppliers	Catalog Number
Matrix Scientific	034776

Database	Data ID
PubChem	45790633

M. W.

208.6080296

CAS

Similarity

N/A

ID: 32087

1-chloro-2-(1,1-difluoroethyl)-3-fluoro-4-methylbenzene

$$$$ Data

M. F.

C9H8ClF3

Suppliers	Catalog Number
Matrix Scientific	034777

Database	Data ID
PubChem	45790643

M. W.

208.6080296

CAS

Similarity

N/A

ID: 32088

2-chloro-4-(1,1-difluoroethyl)-1-fluorobenzene

$$$$ Data

M. F.

C8H6ClF3

Suppliers	Catalog Number
Matrix Scientific	034778

Database	Data ID
PubChem	45790631

M. W.

194.5814496

CAS

Similarity

N/A

ID: 32089

1-chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H6ClF5

Suppliers	Catalog Number
Matrix Scientific	034779

Database	Data ID
PubChem	45790692

M. W.

244.588956

CAS

Similarity

N/A

ID: 32090

5-chloro-1,1-difluoro-2,3-dihydro-1H-indene

$$$$ Data

M. F.

C9H7ClF2

Suppliers	Catalog Number
Matrix Scientific	034780

Database	Data ID
PubChem	45790641

M. W.

188.6016864

CAS

Similarity

N/A

ID: 32091

1,5-dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene

$$$$ Data

M. F.

C8H5Cl2F3

Suppliers	Catalog Number
Matrix Scientific	034781

Database	Data ID
PubChem	45790670

M. W.

229.0265096

CAS

Similarity

N/A

ID: 32092

1,3-dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene

$$$$ Data

M. F.

C8H5Cl2F3

Suppliers	Catalog Number
Matrix Scientific	034782

Database	Data ID
PubChem	45790689

M. W.

229.0265096

CAS

Similarity

N/A

ID: 32093

1,4-dichloro-2-[difluoro(phenyl)methyl]benzene

$$$$ Data

M. F.

C13H8Cl2F2

Suppliers	Catalog Number
Matrix Scientific	034783

Database	Data ID
PubChem	45790678

M. W.

273.1054264

CAS

Similarity

N/A

ID: 32094

1-(1,1-difluoroethyl)-3,5-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C10H6F8

Suppliers	Catalog Number
Matrix Scientific	034784

Database	Data ID
PubChem	45790627

M. W.

278.1418656

CAS

Similarity

N/A

ID: 32095

1-(1,1-difluoroethyl)-2,3-difluoro-4-methylbenzene

$$$$ Data

M. F.

C9H8F4

Suppliers	Catalog Number
Matrix Scientific	034785

Database	Data ID
PubChem	45790669

M. W.

192.1534328

CAS

Similarity

N/A

ID: 32096

2-(1,1-difluoroethyl)-1,4-difluorobenzene

$$$$ Data

M. F.

C8H6F4

Suppliers	Catalog Number
Matrix Scientific	034786

Database	Data ID
PubChem	45790663

M. W.

178.1268528

CAS

Similarity

N/A

ID: 32097

2-(1,1-difluoroethyl)-1,3-difluorobenzene

$$$$ Data

M. F.

C8H6F4

Suppliers	Catalog Number
Matrix Scientific	034787

Database	Data ID
PubChem	45790664

M. W.

178.1268528

CAS

Similarity

N/A

ID: 32098

1-(1,1-difluoroethyl)-2,4-difluorobenzene

$$$$ Data

M. F.

C8H6F4

Suppliers	Catalog Number
Matrix Scientific	034788

Database	Data ID
PubChem	45790665

M. W.

178.1268528

CAS

Similarity

N/A

ID: 32099

1-(1,1-difluoroethyl)-2,3-difluorobenzene

$$$$ Data

M. F.

C8H6F4

Suppliers	Catalog Number
Matrix Scientific	034789

Database	Data ID
PubChem	45790666

M. W.

178.1268528

CAS

Similarity

N/A

ID: 32100

4-(1,1-difluoroethyl)-1,2-difluorobenzene

$$$$ Data

M. F.

C8H6F4

Suppliers	Catalog Number
Matrix Scientific	034790

Database	Data ID
PubChem	45790667

M. W.

178.1268528

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified