Chembase list of 866358 unique molecular structures

2-(chloromethyl)-1-fluoro-4-methoxybenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Chemik	CHB02600

Database	Data ID
PubChem	26343849

M. W.

174.5999232

CAS

1076197-70-0

Similarity

N/A

ID: 179952

1-(chloromethyl)-4-fluoro-2-methoxybenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Chemik	CHB02700

Database	Data ID
PubChem	18755439

M. W.

174.5999232

CAS

157068-04-7

Similarity

N/A

ID: 179953

4-(chloromethyl)-1-fluoro-2-methoxybenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Chemik	CHB02900
Bide Pharmatech	BD33007
A&J Pharmtech	AJA-O1045

Database	Data ID
PubChem	17964239

M. W.

174.5999232

CAS

276861-59-7

Similarity

N/A

ID: 179954

1-(bromomethyl)-2-chloro-3-fluorobenzene

$$$$ Data

M. F.

C7H5BrClF

Suppliers	Catalog Number
Chemik	CHB03700
Enamine	EN300-125431
Bide Pharmatech	BD35201

Database	Data ID
PubChem	44782644

M. W.

223.4700032

CAS

874285-19-5

Similarity

N/A

ID: 179955

1-(bromomethyl)-2,3-dichlorobenzene

$$$$ Data

M. F.

C7H5BrCl2

Suppliers	Catalog Number
Chemik	CHB07200
Bide Pharmatech	BD34154

Database	Data ID
PubChem	2734602

M. W.

239.9246

CAS

57915-78-3

Similarity

N/A

ID: 179956

1-(chloromethyl)-3-fluoro-5-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Chemik	CHB08200

Database	Data ID
PubChem	44557936

M. W.

212.5719128

CAS

634151-25-0

Similarity

N/A

ID: 179957

1-(chloromethyl)-2,3-dimethylbenzene

$$$$ Data

M. F.

C9H11Cl

Suppliers	Catalog Number
Chemik	CHB08800
Bide Pharmatech	BD31831

Database	Data ID
PubChem	347037

M. W.

154.63664

CAS

13651-55-3

Similarity

N/A

ID: 179958

2-(2,3-dichlorophenyl)acetonitrile

$$$$ Data

M. F.

C8H5Cl2N

Suppliers	Catalog Number
Chemik	CHB10500
Bide Pharmatech	BD33201

Database	Data ID
PubChem	229020

M. W.

186.038

CAS

3218-45-9

Similarity

N/A

ID: 179959

2-(5-fluoro-2-methoxyphenyl)acetonitrile

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Alfa Aesar	H31709
Chemik	CHB13600

Database	Data ID
PubChem	302685

M. W.

165.1643232

CAS

501008-41-9

Similarity

N/A

ID: 179960

2-(2-fluoro-4-methoxyphenyl)acetonitrile

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Alfa Aesar	H30752
Chemik	CHB13700

Database	Data ID
PubChem	26343860

M. W.

165.1643232

CAS

749934-29-0

Similarity

N/A

ID: 179961

2-(4-fluoro-2-methoxyphenyl)acetonitrile

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Chemik	CHB13800

Database	Data ID
PubChem	17750772

M. W.

165.1643232

CAS

886498-56-2

Similarity

N/A

ID: 179962

2-(3,5-dibromophenyl)acetonitrile

$$$$ Data

M. F.

C8H5Br2N

Suppliers	Catalog Number
Chemik	CHB13900

Database	Data ID
PubChem	21628558

M. W.

274.94

CAS

188347-48-0

Similarity

N/A

ID: 179963

4-hydroxy-2-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H5F3O3

Suppliers	Catalog Number
Chemik	CHB18661
Bide Pharmatech	BD38092

Database	Data ID
PubChem	24721507

M. W.

206.1187096

CAS

1017083-37-2

Similarity

N/A

ID: 179964

4-hydroxy-2,5-dimethylbenzonitrile

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
Chemik	CHB27531

Database	Data ID
PubChem	22616159

M. W.

147.17386

CAS

85223-94-5

Similarity

N/A

ID: 179965

4-(trifluoromethoxy)benzene-1,3-dicarbonitrile

$$$$ Data

M. F.

C9H3F3N2O

Suppliers	Catalog Number
Chemik	CHB37300

Database	Data ID
PubChem	26343888

M. W.

212.1281296

CAS

1020063-01-7

Similarity

N/A

ID: 179966

3,5-dichloro-4-methylbenzoic acid

$$$$ Data

M. F.

C8H6Cl2O2

Suppliers	Catalog Number
ChemBridge	4045084
Chemik	CHB38331
Bide Pharmatech	BD20633

Database	Data ID
PubChem	18533234

M. W.

205.03804

CAS

39652-34-1

Similarity

N/A

ID: 179967

4-chloro-2-(trifluoromethyl)benzoyl chloride

$$$$ Data

M. F.

C8H3Cl2F3O

Suppliers	Catalog Number
Chemik	CHB48741

Database	Data ID
PubChem	4340369

M. W.

243.0100296

CAS

98187-13-4

Similarity

N/A

ID: 179968

3-iodobenzoyl chloride

$$$$ Data

M. F.

C7H4ClIO

Suppliers	Catalog Number
Alfa Aesar	L17451
Chemik	CHB48900

Database	Data ID
PubChem	74378

M. W.

266.46353

CAS

1711-10-0

Similarity

N/A

ID: 179969

2-bromo-6-fluorobenzoyl chloride

$$$$ Data

M. F.

C7H3BrClFO

Suppliers	Catalog Number
Chemik	CHB51100

Database	Data ID
PubChem	26343906

M. W.

237.4535232

CAS

1020718-20-0

Similarity

N/A

ID: 179970

2,3,5,6-tetrafluoro-4-{2-[4-(fluorooxy)phenyl]propan-2-yl}phenyl hypofluorite

$$$$ Data

M. F.

C15H10F6O2

Suppliers	Catalog Number
Chemik	CHB53951

Database	Data ID
PubChem	19782796

M. W.

336.2291192

CAS

1478-61-1

Similarity

N/A

ID: 179971

1-bromo-2-fluoro-3,5-dimethylbenzene

$$$$ Data

M. F.

C8H8BrF

Suppliers	Catalog Number
Chemik	CHB54141

Database	Data ID
PubChem	19043292

M. W.

203.0515232

CAS

344-16-1

Similarity

N/A

ID: 179972

2-[4-(ethylsulfanyl)-2,5-dimethoxyphenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C12H20ClNO2S

Suppliers	Catalog Number
Chemik	CHB58031

Database	Data ID
PubChem	24820239

M. W.

277.8107

CAS

207740-24-7

Similarity

N/A

ID: 179973

(2-bromo-5-fluorophenyl)methanamine

$$$$ Data

M. F.

C7H7BrFN

Suppliers	Catalog Number
Chemik	CHB58081
Enamine	EN300-50101

Database	Data ID
PubChem	2773357

M. W.

204.0395832

CAS

747392-34-3

Similarity

N/A

ID: 179974

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

$$$$ Data

M. F.

C9H10F3N

Suppliers	Catalog Number
Chemik	CHB58091
Enamine	EN300-53275
Bide Pharmatech	BD34918

Database	Data ID
PubChem	69883

M. W.

189.1776096

CAS

774-18-5

Similarity

N/A

ID: 179975

(5-chloro-2,4-difluorophenyl)methanamine

$$$$ Data

M. F.

C7H6ClF2N

Suppliers	Catalog Number
Chemik	CHB58131

Database	Data ID
PubChem	26343911

M. W.

177.5790464

CAS

924818-16-6

Similarity

N/A

ID: 179976

(4-chloro-3-fluorophenyl)methanamine

$$$$ Data

M. F.

C7H7ClFN

Suppliers	Catalog Number
Alfa Aesar	H26780
Chemik	CHB59900

Database	Data ID
PubChem	2757541

M. W.

159.5885832

CAS

72235-58-6

Similarity

N/A

ID: 179977

(4-chloro-2-fluorophenyl)methanamine

$$$$ Data

M. F.

C7H7ClFN

Suppliers	Catalog Number
Alfa Aesar	H26352
Chemik	CHB60300

Database	Data ID
PubChem	2724910

M. W.

159.5885832

CAS

72235-57-5

Similarity

N/A

ID: 179978

2-[2-(trifluoromethoxy)phenyl]ethan-1-amine

$$$$ Data

M. F.

C9H10F3NO

Suppliers	Catalog Number
Chemik	CHB61500

Database	Data ID
PubChem	2760728

M. W.

205.1770096

CAS

137218-26-9

Similarity

N/A

ID: 179979

2-[3-(trifluoromethoxy)phenyl]ethan-1-amine

$$$$ Data

M. F.

C9H10F3NO

Suppliers	Catalog Number
Chemik	CHB62600

Database	Data ID
PubChem	22292844

M. W.

205.1770096

CAS

467461-10-5

Similarity

N/A

ID: 179980

2-[4-(trifluoromethoxy)phenyl]ethan-1-amine

$$$$ Data More

M. F.

C9H10F3NO

Suppliers	Catalog Number
Chemik	CHB62700
Enamine	EN300-42606
Bide Pharmatech	BD18823

Database	Data ID
PubChem	10632040

M. W.

205.1770096

CAS

123195-23-3

Similarity

N/A

ID: 179981

1-isocyanato-4-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C8H4F3NO2

Suppliers	Catalog Number
Chemik	CHB69000
Enamine	EN300-117964

Database	Data ID
PubChem	92298

M. W.

203.1180696

CAS

35037-73-1

Similarity

N/A

ID: 179982

1,4-difluoro-2-isothiocyanatobenzene

$$$$ Data

M. F.

C7H3F2NS

Suppliers	Catalog Number
Chemik	CHB69600

Database	Data ID
PubChem	598621

M. W.

171.1672264

CAS

206559-57-1

Similarity

N/A

ID: 179983

1,3-difluoro-5-isothiocyanatobenzene

$$$$ Data

M. F.

C7H3F2NS

Suppliers	Catalog Number
Chemik	CHB69700

Database	Data ID
PubChem	2758332

M. W.

171.1672264

CAS

302912-39-6

Similarity

N/A

ID: 179984

1,2-difluoro-3-isothiocyanatobenzene

$$$$ Data

M. F.

C7H3F2NS

Suppliers	Catalog Number
Chemik	CHB69900
Enamine	EN300-116398

Database	Data ID
PubChem	2758330

M. W.

171.1672264

CAS

363179-57-1

Similarity

N/A

ID: 179985

1-(2-chlorophenyl)-2,2,2-trifluoroethan-1-one

$$$$ Data

M. F.

C8H4ClF3O

Suppliers	Catalog Number
Chemik	CHB74300
A&J Pharmtech	AJA-O34018

Database	Data ID
PubChem	21645658

M. W.

208.5649696

CAS

5860-95-7

Similarity

N/A

ID: 179986

[4-(difluoromethoxy)-3,5-difluorophenyl]boronic acid

$$$$ Data

M. F.

C7H5BF4O3

Suppliers	Catalog Number
Chemik	CBC00500

Database	Data ID
PubChem	17750063

M. W.

223.9174128

CAS

915401-97-7

Similarity

N/A

ID: 179987

4-fluoro-3-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C7H9FN2

Suppliers	Catalog Number
Chemik	CHB79381
Bide Pharmatech	BD33763

Database	Data ID
PubChem	22055547

M. W.

140.1581632

CAS

485832-95-9

Similarity

N/A

ID: 179988

4-chloro-2,6-dimethylaniline

$$$$ Data

M. F.

C8H10ClN

Suppliers	Catalog Number
Alfa Aesar	B21996
Chemik	CHB79521
Enamine	EN300-117114

Database	Data ID
PubChem	5073362

M. W.

155.6247

CAS

24596-18-7

Similarity

N/A

ID: 179989

3-amino-2,6-difluorobenzonitrile

$$$$ Data

M. F.

C7H4F2N2

Suppliers	Catalog Number
Chemik	CHB79551

Database	Data ID
PubChem	8027153

M. W.

154.1168664

CAS

143879-78-1

Similarity

N/A

ID: 179990

3-(dibutylamino)phenol

$$$$ Data

M. F.

C14H23NO

Suppliers	Catalog Number
Chemik	CHB83151

Database	Data ID
PubChem	601234

M. W.

221.33852

CAS

43141-69-1

Similarity

N/A

ID: 179991

5-amino-2-[3-(4-amino-2-sulfophenyl)propa-1,2-dien-1-yl]benzene-1-sulfonic acid

$$$$ Data

M. F.

C15H14N2O6S2

Suppliers	Catalog Number
Chemik	CHB85561

Database	Data ID
PubChem	26343937

M. W.

382.41146

CAS

93981-21-2

Similarity

N/A

ID: 179992

4-bromo-2-(2,6-difluorobenzoyl)aniline

$$$$ Data

M. F.

C13H8BrF2NO

Suppliers	Catalog Number
Chemik	CHB85581

Database	Data ID
PubChem	26343940

M. W.

312.1095264

CAS

660450-79-3

Similarity

N/A

ID: 179993

(2S)-2-amino-4-benzylpentanedioic acid

$$$$ Data

M. F.

C12H15NO4

Suppliers	Catalog Number
Alfa Aesar	B22184
Chemik	CHB85651

Database	Data ID
PubChem	22787902

M. W.

237.2518

CAS

1676-73-9

Similarity

N/A

ID: 179994

4-iodo-N,N-dimethylbenzamide

$$$$ Data

M. F.

C9H10INO

Suppliers	Catalog Number
Chemik	CHB85791

Database	Data ID
PubChem	879933

M. W.

275.08627

CAS

24167-53-1

Similarity

N/A

ID: 179995

(3-phenylpentan-3-yl)phosphonate

$$$$ Data

M. F.

C11H15O3P--

Suppliers	Catalog Number
Chemik	CHB85841

Database	Data ID
PubChem	26343947

M. W.

226.208761

CAS

1080-32-6

Similarity

N/A

ID: 179996

4-aminobenzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C7H10ClN3

Suppliers	Catalog Number
Chemik	CHB85931
A&J Pharmtech	AJA-O2416

Database	Data ID
PubChem	122765

M. W.

171.6274

CAS

2498-50-2

Similarity

N/A

ID: 179997

methyl 4-chloro-3-(ethenylideneamino)benzoate

$$$$ Data

M. F.

C10H8ClNO2

Suppliers	Catalog Number
Chemik	CHB86000

Database	Data ID
PubChem	26343948

M. W.

209.62902

CAS

Similarity

N/A

ID: 179998

4-hydroxyphenyl benzoate

$$$$ Data More

M. F.

C13H10O3

Suppliers	Catalog Number
Alfa Aesar	L09350
Chemik	CHB86011
Enamine	EN300-85512

Database	Data ID
PubChem	75549

M. W.

214.2167

CAS

2444-19-1

Similarity

N/A

ID: 179999

4-bromo-2-chloro-1-methoxybenzene

$$$$ Data

M. F.

C7H6BrClO

Suppliers	Catalog Number
Chemik	CHB86051
Enamine	EN300-64401
Bide Pharmatech	BD33852

Database	Data ID
PubChem	3016537

M. W.

221.47894

CAS

452-09-5

Similarity

N/A

ID: 180000

methyl 4-cyano-3-fluorobenzoate

$$$$ Data

M. F.

C9H6FNO2

Suppliers	Catalog Number
Chemik	CHB86081
A&J Pharmtech	AJA-O455

Database	Data ID
PubChem	17965941

M. W.

179.1478432

CAS

268734-34-5

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