Chembase list of 866358 unique molecular structures

tert-butyl N-[4-(bromomethyl)-3-fluorophenyl]carbamate

$$$$

M. F.

C12H15BrFNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19506

Database

Data ID

M. W.

304.1554032

CAS

885021-03-4

Similarity

N/A

ID: 802902

[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl acetate

$$$$

M. F.

C25H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19507

Database

Data ID

M. W.

382.45438

CAS

183500-34-7

Similarity

N/A

ID: 802903

ethyl 2-amino-5-tert-butyl-1,3-thiazole-4-carboxylate

$$$$

M. F.

C10H16N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19508

Database

Data ID

M. W.

228.31124

CAS

Similarity

N/A

ID: 802904

1-[(R)-(morpholin-4-yl)(phenyl)methyl]naphthalen-2-ol

$$$$

M. F.

C21H21NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19510

Database

Data ID

M. W.

319.39694

CAS

Similarity

N/A

ID: 802905

1-[(S)-(morpholin-4-yl)(phenyl)methyl]naphthalen-2-ol

$$$$

M. F.

C21H21NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19511

Database

Data ID

M. W.

319.39694

CAS

Similarity

N/A

ID: 802906

1-[(S)-(methylamino)(phenyl)methyl]naphthalen-2-ol

$$$$

M. F.

C18H17NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19513

Database

Data ID

M. W.

263.33368

CAS

Similarity

N/A

ID: 802907

1-[(R)-(methylamino)(phenyl)methyl]naphthalen-2-ol

$$$$

M. F.

C18H17NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19514

Database

Data ID

M. W.

263.33368

CAS

Similarity

N/A

ID: 802908

2-methoxypyridine-3,4-diamine

$$$$

M. F.

C6H9N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19519

Database

Data ID

M. W.

139.15516

CAS

33631-04-8

Similarity

N/A

ID: 802909

2,6-dibromopyridine-3-carbaldehyde

$$$$

M. F.

C6H3Br2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19521

Database

Data ID

M. W.

264.90212

CAS

55304-83-1

Similarity

N/A

ID: 802910

2-fluoro-4-nitrobenzamide

$$$$

M. F.

C7H5FN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19522

Database

Data ID

M. W.

184.1246032

CAS

350-32-3

Similarity

N/A

ID: 802911

tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate

$$$$

M. F.

C10H14BrN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19523

Database

Data ID

M. W.

288.14106

CAS

369638-69-7

Similarity

N/A

ID: 802912

1,2,5,6,7,8-hexahydro-1,6-naphthyridin-2-one

$$$$

M. F.

C8H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19525

Database

Data ID

M. W.

150.1778

CAS

676994-64-2

Similarity

N/A

ID: 802913

1-(4-chlorophenyl)cyclopropane-1-carboxamide

$$$$

M. F.

C10H10ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19526

Database

Data ID

M. W.

195.6455

CAS

Similarity

N/A

ID: 802914

1H-1,3-benzodiazole hydrochloride

$$$$

M. F.

C7H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19527

Database

Data ID

M. W.

154.59688

CAS

Similarity

N/A

ID: 802915

(3-nitropyridin-4-yl)methanamine

$$$$

M. F.

C6H7N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19538

Database

Data ID

M. W.

153.13868

CAS

Similarity

N/A

ID: 802916

6-bromo-2H-chromene

$$$$

M. F.

C9H7BrO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19539

Database

Data ID

M. W.

211.05528

CAS

18385-87-0

Similarity

N/A

ID: 802917

3-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

$$$$

M. F.

C11H17BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19540

Database

Data ID

M. W.

220.07588

CAS

Similarity

N/A

ID: 802918

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

$$$$

M. F.

C10H15BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19541

Database

Data ID

M. W.

206.0493

CAS

1197172-06-7

Similarity

N/A

ID: 802919

N,N-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

$$$$

M. F.

C12H20BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19543

Database

Data ID

M. W.

249.1171

CAS

Similarity

N/A

ID: 802920

2-ethoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

$$$$

M. F.

C12H19BN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19544

Database

Data ID

M. W.

250.10186

CAS

Similarity

N/A

ID: 802921

N-methylisoquinolin-5-amine hydrochloride

$$$$

M. F.

C10H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19548

Database

Data ID

M. W.

194.66074

CAS

1001906-56-4

Similarity

N/A

ID: 802922

2-chloro-4-(2H-1,2,3,4-tetrazol-5-yl)pyridine

$$$$

M. F.

C6H4ClN5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19549

Database

Data ID

M. W.

181.58246

CAS

Similarity

N/A

ID: 802923

tert-butyl 5-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

$$$$

M. F.

C17H23BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19550

Database

Data ID

M. W.

367.28072

CAS

878167-55-6

Similarity

N/A

ID: 802924

5-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]

$$$$

M. F.

C12H15BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19551

Database

Data ID

M. W.

267.1649

CAS

944899-21-2

Similarity

N/A

ID: 802925

2-benzyl-6-nitro-1,2,3,4-tetrahydroisoquinoline

$$$$

M. F.

C16H16N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19552

Database

Data ID

M. W.

268.31044

CAS

208589-95-1

Similarity

N/A

ID: 802926

6-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19554

Database

Data ID

M. W.

192.21118

CAS

Similarity

N/A

ID: 802927

6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H9F3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19555

Database

Data ID

M. W.

246.1825696

CAS

Similarity

N/A

ID: 802928

(3S)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H10O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19556

Database

Data ID

M. W.

178.1846

CAS

Similarity

N/A

ID: 802929

(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H9ClO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19557

Database

Data ID

M. W.

212.62966

CAS

Similarity

N/A

ID: 802930

(3S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H9FO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19558

Database

Data ID

M. W.

196.1750632

CAS

Similarity

N/A

ID: 802931

(3S)-6-bromo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H9BrO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19559

Database

Data ID

M. W.

257.08066

CAS

Similarity

N/A

ID: 802932

(3S)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H12O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19560

Database

Data ID

M. W.

208.21058

CAS

Similarity

N/A

ID: 802933

(3S)-6-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19561

Database

Data ID

M. W.

192.21118

CAS

Similarity

N/A

ID: 802934

(3S)-6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H9F3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19562

Database

Data ID

M. W.

246.1825696

CAS

Similarity

N/A

ID: 802935

(3R)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H10O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19563

Database

Data ID

M. W.

178.1846

CAS

Similarity

N/A

ID: 802936

(3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H9ClO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19564

Database

Data ID

M. W.

212.62966

CAS

Similarity

N/A

ID: 802937

(3R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H9FO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19565

Database

Data ID

M. W.

196.1750632

CAS

Similarity

N/A

ID: 802938

(3R)-6-bromo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C10H9BrO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19566

Database

Data ID

M. W.

257.08066

CAS

Similarity

N/A

ID: 802939

(3R)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H12O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19567

Database

Data ID

M. W.

208.21058

CAS

Similarity

N/A

ID: 802940

(3R)-6-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19568

Database

Data ID

M. W.

192.21118

CAS

Similarity

N/A

ID: 802941

(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

$$$$

M. F.

C11H9F3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19569

Database

Data ID

M. W.

246.1825696

CAS

Similarity

N/A

ID: 802942

3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C10H10O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19570

Database

Data ID

M. W.

162.1852

CAS

Similarity

N/A

ID: 802943

6-chloro-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C10H9ClO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19571

Database

Data ID

M. W.

196.63026

CAS

Similarity

N/A

ID: 802944

6-fluoro-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C10H9FO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19572

Database

Data ID

M. W.

180.1756632

CAS

Similarity

N/A

ID: 802945

6-bromo-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C10H9BrO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19573

Database

Data ID

M. W.

241.08126

CAS

Similarity

N/A

ID: 802946

6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C11H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19574

Database

Data ID

M. W.

192.21118

CAS

Similarity

N/A

ID: 802947

6-methyl-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C11H12O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19575

Database

Data ID

M. W.

176.21178

CAS

Similarity

N/A

ID: 802948

6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

$$$$

M. F.

C11H9F3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19576

Database

Data ID

M. W.

230.1831696

CAS

Similarity

N/A

ID: 802949

(6-fluoro-3,4-dihydro-2H-1-benzopyran-3-yl)methanamine

$$$$

M. F.

C10H12FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19577

Database

Data ID

M. W.

181.2067832

CAS

Similarity

N/A

ID: 802950

(6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl)methanamine

$$$$

M. F.

C11H15NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19578

Database

Data ID

M. W.

177.2429

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