Chembase list of 866358 unique molecular structures

2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline

$$$$ Data

M. F.

C8H6Cl2F3NO

Suppliers	Catalog Number
Apollo Scientific	PC2539

Database	Data ID
PubChem	44717352

M. W.

260.0405496

CAS

Similarity

N/A

ID: 94902

4-chloro-3-(2-chloro-1,1,2-trifluoroethoxy)aniline

$$$$ Data

M. F.

C8H6Cl2F3NO

Suppliers	Catalog Number
Apollo Scientific	PC2540

Database	Data ID
PubChem	44717353

M. W.

260.0405496

CAS

Similarity

N/A

ID: 94903

3-chloro-4-(2-chloro-1,1,2-trifluoroethoxy)phenol

$$$$ Data

M. F.

C8H5Cl2F3O2

Suppliers	Catalog Number
Apollo Scientific	PC2541

Database	Data ID
PubChem	44717354

M. W.

261.0253096

CAS

Similarity

N/A

ID: 94904

1-[2-(trifluoromethyl)phenyl]propan-1-amine

$$$$ Data

M. F.

C10H12F3N

Suppliers	Catalog Number
Apollo Scientific	PC2542

Database	Data ID
PubChem	18439478

M. W.

203.2041896

CAS

473732-54-6

Similarity

N/A

ID: 94905

[1-(3-fluorophenyl)ethyl](methyl)amine

$$$$ Data

M. F.

C9H12FN

Suppliers	Catalog Number
Apollo Scientific	PC2543

Database	Data ID
PubChem	21251055

M. W.

153.1966832

CAS

820209-02-7

Similarity

N/A

ID: 94906

2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7...

$$$$ Data

M. F.

C12HF25O4

Suppliers	Catalog Number
Apollo Scientific	PC2545

Database	Data ID
PubChem	45933610

M. W.

684.09402

CAS

Similarity

N/A

ID: 94907

2,3-dibromo-4,4,4-trifluoro-3-methylbutanoic acid

$$$$ Data

M. F.

C5H5Br2F3O2

Suppliers	Catalog Number
Apollo Scientific	PC2547

Database	Data ID
PubChem	44717350

M. W.

313.8952096

CAS

Similarity

N/A

ID: 94908

4-bromo-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-2-ene

$$$$ Data

M. F.

C5HBrF8

Suppliers	Catalog Number
Apollo Scientific	PC2548

Database	Data ID
PubChem	44717351

M. W.

292.9526656

CAS

Similarity

N/A

ID: 94909

2,6-dichloro-4-(trifluoromethyl)benzamide

$$$$ Data

M. F.

C8H4Cl2F3NO

Suppliers	Catalog Number
Apollo Scientific	PC2554B

Database	Data ID
PubChem	2736867

M. W.

258.0246696

CAS

157021-70-0

Similarity

N/A

ID: 94910

[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine

$$$$ Data

M. F.

C7H5Cl2F3N2

Suppliers	Catalog Number
Sigma Aldrich	410551
Alfa Aesar	B20013
Apollo Scientific	PC2554H

Database	Data ID
PubChem	688223

M. W.

245.0292096

CAS

86398-94-9

Similarity

N/A

ID: 94911

2,3-difluoro-1-methoxy-4-nitrobenzene

$$$$ Data

M. F.

C7H5F2NO3

Suppliers	Catalog Number
Apollo Scientific	PC2555
A&J Pharmtech	AJA-O46

Database	Data ID
PubChem	10103961

M. W.

189.1163064

CAS

66684-59-1

Similarity

N/A

ID: 94912

4,6-dichloro-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C10H4Cl2F3N

Suppliers	Catalog Number
Apollo Scientific	PC2556W

Database	Data ID
PubChem	2736875

M. W.

266.0466696

CAS

18706-33-7

Similarity

N/A

ID: 94913

3-chloro-2,5,6-trifluoro-4-hydrazinylbenzonitrile

$$$$ Data

M. F.

C7H3ClF3N3

Suppliers	Catalog Number
Apollo Scientific	PC2557

Database	Data ID
PubChem	26596584

M. W.

221.5670296

CAS

Similarity

N/A

ID: 94914

1-fluoro-4-(1,1,2,2-tetrafluoroethoxy)benzene

$$$$ Data

M. F.

C8H5F5O

Suppliers	Catalog Number
Apollo Scientific	PC2561

Database	Data ID
PubChem	14453332

M. W.

212.116716

CAS

Similarity

N/A

ID: 94915

2-chloro-2,2-difluoroacetyl fluoride

$$$$ Data

M. F.

C2ClF3O

Suppliers	Catalog Number
Apollo Scientific	PC2565

Database	Data ID
PubChem	67714

M. W.

132.4690096

CAS

354-27-8

Similarity

N/A

ID: 94916

diethyl(1,1,2,3,3,3-hexafluoropropyl)amine

$$$$ Data

M. F.

C7H11F6N

Suppliers	Catalog Number
Sigma Aldrich	564990
Alfa Aesar	L16738
Apollo Scientific	PC2898 PC2567

Database	Data ID
PubChem	136149

M. W.

223.1593592

CAS

309-88-6

Similarity

N/A

ID: 94917

N-(2,4-difluorophenyl)acetamide

$$$$ Data

M. F.

C8H7F2NO

Suppliers	Catalog Number
Alfa Aesar	A10490
Apollo Scientific	PC2569

Database	Data ID
PubChem	96093

M. W.

171.1440864

CAS

399-36-0

Similarity

N/A

ID: 94918

3-chloro-2,4-difluorobenzaldehyde

$$$$ Data

M. F.

C7H3ClF2O

Suppliers	Catalog Number
Alfa Aesar	H26383
Apollo Scientific	PC2571

Database	Data ID
PubChem	3735177

M. W.

176.5479264

CAS

127675-46-1

Similarity

N/A

ID: 94919

(3-chlorophenyl)(3,4-difluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2572

Database	Data ID
PubChem	2757446

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94920

(3-chloro-4-fluorophenyl)(3-fluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2573

Database	Data ID
PubChem	2757445

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94921

(3-chlorophenyl)(3,5-difluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2580

Database	Data ID
PubChem	2757448

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94922

(3-chloro-5-fluorophenyl)(3-fluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2581

Database	Data ID
PubChem	2757447

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94923

(3-chloro-4-fluorophenyl)(4-fluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2582

Database	Data ID
PubChem	2757449

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94924

(3-chloro-5-fluorophenyl)(4-fluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2583

Database	Data ID
PubChem	2757450

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94925

(4-chloro-3-fluorophenyl)(3-fluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2584

Database	Data ID
PubChem	2757451

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94926

(4-chlorophenyl)(3,4-difluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2585

Database	Data ID
PubChem	2757453

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94927

(4-chloro-3-fluorophenyl)(4-fluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2586

Database	Data ID
PubChem	2757452

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94928

(4-chlorophenyl)(3,5-difluorophenyl)methanol

$$$$ Data

M. F.

C13H9ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2587

Database	Data ID
PubChem	2757454

M. W.

254.6597664

CAS

Similarity

N/A

ID: 94929

lithium(1+) ion nonafluorobutane-1-sulfonate

$$$$ Data

M. F.

C4F9LiO3S

Suppliers	Catalog Number
Apollo Scientific	PC2589

Database	Data ID
PubChem	23681910

M. W.

306.0326288

CAS

131651-65-5

Similarity

N/A

ID: 94930

5-chloro-2,2-difluoro-2H-1,3-benzodioxole

$$$$ Data

M. F.

C7H3ClF2O2

Suppliers	Catalog Number
Apollo Scientific	PC2591

Database	Data ID
PubChem	10997868

M. W.

192.5473264

CAS

72769-08-5

Similarity

N/A

ID: 94931

3-chloro-4,5-difluorobenzoic acid

$$$$ Data

M. F.

C7H3ClF2O2

Suppliers	Catalog Number
Apollo Scientific	PC2592

Database	Data ID
PubChem	14949363

M. W.

192.5473264

CAS

150444-95-4

Similarity

N/A

ID: 94932

(3-chlorophenyl)(3,4-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2593

Database	Data ID
PubChem	2757455

M. W.

252.6438864

CAS

Similarity

N/A

ID: 94933

(3-chlorophenyl)(3,5-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2594

Database	Data ID
PubChem	2757456

M. W.

252.6438864

CAS

Similarity

N/A

ID: 94934

(4-chlorophenyl)(3,4-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2595

Database	Data ID
PubChem	2757457

M. W.

252.6438864

CAS

Similarity

N/A

ID: 94935

(4-chlorophenyl)(3,5-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7ClF2O

Suppliers	Catalog Number
Apollo Scientific	PC2596

Database	Data ID
PubChem	2757458

M. W.

252.6438864

CAS

Similarity

N/A

ID: 94936

2-chloro-4,5-difluorobenzoyl chloride

$$$$ Data

M. F.

C7H2Cl2F2O

Suppliers	Catalog Number
Apollo Scientific	PC2598

Database	Data ID
PubChem	10198217

M. W.

210.9929864

CAS

121872-95-5

Similarity

N/A

ID: 94937

1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene

$$$$ Data

M. F.

C8H5F4IO

Suppliers	Catalog Number
Apollo Scientific	PC2601

Database	Data ID
PubChem	26985388

M. W.

320.0227828

CAS

Similarity

N/A

ID: 94938

2-amino-4-(trifluoromethyl)benzene-1-thiol

$$$$ Data

M. F.

C7H6F3NS

Suppliers	Catalog Number
Apollo Scientific	PC2602

Database	Data ID
PubChem	88042

M. W.

193.1894496

CAS

19406-49-6

Similarity

N/A

ID: 94939

sodium 3,5-bis(trifluoromethyl)benzoate

$$$$ Data

M. F.

C9H3F6NaO2

Suppliers	Catalog Number
Apollo Scientific	PC2604

Database	Data ID
PubChem	23682278

M. W.

280.0991092

CAS

Similarity

N/A

ID: 94940

3-bromo-5-fluoro-2-hydroxybenzaldehyde

$$$$ Data

M. F.

C7H4BrFO2

Suppliers	Catalog Number
Apollo Scientific	PC2607

Database	Data ID
PubChem	23148955

M. W.

219.0078632

CAS

Similarity

N/A

ID: 94941

1,3-dibromo-5-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C7H3Br2F3O

Suppliers	Catalog Number
Sigma Aldrich	343951
Apollo Scientific	PC2608
Bide Pharmatech	BD53962

Database	Data ID
PubChem	2761179

M. W.

319.9013296

CAS

207226-31-1

Similarity

N/A

ID: 94942

3-bromo-5-(trifluoromethoxy)benzonitrile

$$$$ Data

M. F.

C8H3BrF3NO

Suppliers	Catalog Number
Alfa Aesar	H31778
Apollo Scientific	PC2609

Database	Data ID
PubChem	44717376

M. W.

266.0147296

CAS

Similarity

N/A

ID: 94943

3-bromo-5-(trifluoromethoxy)benzamide

$$$$ Data

M. F.

C8H5BrF3NO2

Suppliers	Catalog Number
Alfa Aesar	H32805
Apollo Scientific	PC2611

Database	Data ID
PubChem	26985420

M. W.

284.0300096

CAS

Similarity

N/A

ID: 94944

3-bromo-5-(trifluoromethoxy)aniline

$$$$ Data

M. F.

C7H5BrF3NO

Suppliers	Catalog Number
Alfa Aesar	H32510
Apollo Scientific	PC2614

Database	Data ID
PubChem	26985421

M. W.

256.0199096

CAS

Similarity

N/A

ID: 94945

3-bromo-5-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H4BrF3O2

Suppliers	Catalog Number
Alfa Aesar	H26544
Apollo Scientific	PC2615

Database	Data ID
PubChem	5006711

M. W.

269.0153696

CAS

Similarity

N/A

ID: 94946

[5-(trifluoromethyl)furan-2-yl]methanol

$$$$ Data

M. F.

C6H5F3O2

Suppliers	Catalog Number
Maybridge	CC49809
Apollo Scientific	PC2621

Database	Data ID
PubChem	7537667

M. W.

166.0979096

CAS

65865-28-3

Similarity

N/A

ID: 94947

2-fluoro-5-nitrobenzoyl chloride

$$$$ Data

M. F.

C7H3ClFNO3

Suppliers	Catalog Number
Apollo Scientific	PC2622

Database	Data ID
PubChem	10976570

M. W.

203.5550232

CAS

709-46-6

Similarity

N/A

ID: 94948

4-bromo-1-fluoro-2-methanesulfonylbenzene

$$$$ Data

M. F.

C7H6BrFO2S

Suppliers	Catalog Number
Apollo Scientific	PC2624

Database	Data ID
PubChem	26985424

M. W.

253.0887432

CAS

914636-38-7

Similarity

N/A

ID: 94949

1-fluoro-2-methanesulfonyl-4-nitrobenzene

$$$$ Data

M. F.

C7H6FNO4S

Suppliers	Catalog Number
Apollo Scientific	PC2625
Enamine	EN300-96951

Database	Data ID
PubChem	26985425

M. W.

219.1902432

CAS

Similarity

N/A

ID: 94950

4-fluoro-3-methanesulfonylaniline

$$$$ Data

M. F.

C7H8FNO2S

Suppliers	Catalog Number
Apollo Scientific	PC2626
Enamine	EN300-96963

Database	Data ID
PubChem	26985427

M. W.

189.2073232

CAS

914636-44-5

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