Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H17BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11581

Database	Data ID
PubChem	44118595

M. W.

257.17008

CAS

Similarity

N/A

ID: 75602

5-bromo-4-hexylpyrimidine

$$$$ Data

M. F.

C10H15BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11582
A&J Pharmtech	AJA-O3023

Database	Data ID
PubChem	26370001

M. W.

243.1435

CAS

951884-38-1

Similarity

N/A

ID: 75603

5-bromo-4-(6-methylheptyl)pyrimidine

$$$$ Data

M. F.

C12H19BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11583

Database	Data ID
PubChem	26370003

M. W.

271.19666

CAS

Similarity

N/A

ID: 75604

5-bromo-4-(3-methylbutyl)pyrimidine

$$$$ Data

M. F.

C9H13BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11584

Database	Data ID
PubChem	26370004

M. W.

229.11692

CAS

Similarity

N/A

ID: 75605

5-bromo-4-(propan-2-yl)pyrimidine

$$$$ Data

M. F.

C7H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11585

Database	Data ID
PubChem	26370006

M. W.

201.06376

CAS

951884-28-9

Similarity

N/A

ID: 75606

5-bromo-4-pentylpyrimidine

$$$$ Data

M. F.

C9H13BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11586

Database	Data ID
PubChem	26370008

M. W.

229.11692

CAS

Similarity

N/A

ID: 75607

[4-(2-methylpropanesulfonyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H14BNO5S

Suppliers	Catalog Number
Apollo Scientific	OR11587

Database	Data ID
PubChem	44118596

M. W.

271.09786

CAS

Similarity

N/A

ID: 75608

tert-butyl 6-(benzyloxy)-1H-indole-1-carboxylate

$$$$ Data

M. F.

C20H21NO3

Suppliers	Catalog Number
Apollo Scientific	OR11590

Database	Data ID
PubChem	16110261

M. W.

323.38564

CAS

933474-39-6

Similarity

N/A

ID: 75609

6-bromo-8-nitro-[1,2,4]triazolo[4,3-a]pyridine

$$$$ Data

M. F.

C6H3BrN4O2

Suppliers	Catalog Number
Apollo Scientific	OR11591
Bide Pharmatech	BD229868

Database	Data ID
PubChem	26370010

M. W.

243.01762

CAS

951884-20-1

Similarity

N/A

ID: 75610

5-bromo-N-methylpyridine-2-carboxamide

$$$$ Data

M. F.

C7H7BrN2O

Suppliers	Catalog Number
Alfa Aesar	H54947
Apollo Scientific	OR11592
Bide Pharmatech	BD144982

Database	Data ID
PubChem	22831620

M. W.

215.04728

CAS

845305-87-5

Similarity

N/A

ID: 75611

5-bromo-N-ethylpyridine-2-carboxamide

$$$$ Data

M. F.

C8H9BrN2O

Suppliers	Catalog Number
Alfa Aesar	H54309
Apollo Scientific	OR11593

Database	Data ID
PubChem	22831621

M. W.

229.07386

CAS

845305-88-6

Similarity

N/A

ID: 75612

4-(1,3,2-dioxaborinan-2-yl)-N-methylbenzamide

$$$$ Data

M. F.

C11H14BNO3

Suppliers	Catalog Number
Apollo Scientific	OR11595
Bide Pharmatech	BD230784

Database	Data ID
PubChem	44118597

M. W.

219.04476

CAS

957120-71-7

Similarity

N/A

ID: 75613

2,7-dibromospiro[fluorene-9,4'-oxane]

$$$$ Data

M. F.

C17H14Br2O

Suppliers	Catalog Number
Apollo Scientific	OR11597

Database	Data ID
PubChem	16071655

M. W.

394.10046

CAS

934269-17-7

Similarity

N/A

ID: 75614

2-bromo-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H9BrClN

Suppliers	Catalog Number
Apollo Scientific	OR11598

Database	Data ID
PubChem	44118598

M. W.

222.51006

CAS

Similarity

N/A

ID: 75615

2-bromo-N-(2,6-dimethylphenyl)benzamide

$$$$ Data

M. F.

C15H14BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11599

Database	Data ID
PubChem	710571

M. W.

304.18176

CAS

195383-89-2

Similarity

N/A

ID: 75616

2-bromo-N-(2-methylphenyl)benzamide

$$$$ Data

M. F.

C14H12BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11600

Database	Data ID
PubChem	710592

M. W.

290.15518

CAS

303991-47-1

Similarity

N/A

ID: 75617

3-bromo-4-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C7H8BrNO2S

Suppliers	Catalog Number
Apollo Scientific	OR11601

Database	Data ID
PubChem	18400117

M. W.

250.11292

CAS

210824-69-4

Similarity

N/A

ID: 75618

2-bromo-N-(3,4-dimethylphenyl)benzamide

$$$$ Data

M. F.

C15H14BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11602

Database	Data ID
PubChem	710589

M. W.

304.18176

CAS

303991-53-9

Similarity

N/A

ID: 75619

1-(2-bromobenzenesulfonyl)-4-methyl-1H-imidazole

$$$$ Data

M. F.

C10H9BrN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR11603

Database	Data ID
PubChem	26370013

M. W.

301.15966

CAS

Similarity

N/A

ID: 75620

1-(2-bromobenzenesulfonyl)-1H-pyrazole

$$$$ Data

M. F.

C9H7BrN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR11604

Database	Data ID
PubChem	26370015

M. W.

287.13308

CAS

Similarity

N/A

ID: 75621

2-chloro-4-(3-methoxyphenyl)pyrimidine

$$$$ Data

M. F.

C11H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR11606

Database	Data ID
PubChem	11074937

M. W.

220.65496

CAS

499195-50-5

Similarity

N/A

ID: 75622

6-chloro-N-(3-methoxypropyl)pyridazin-3-amine

$$$$ Data

M. F.

C8H12ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR11607

Database	Data ID
PubChem	9179275

M. W.

201.65338

CAS

898656-60-5

Similarity

N/A

ID: 75623

methyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

$$$$ Data

M. F.

C14H19BO4

Suppliers	Catalog Number
Apollo Scientific	OR11608
A&J Pharmtech	AJA-O32481

Database	Data ID
PubChem	2760076

M. W.

262.10926

CAS

653589-95-8

Similarity

N/A

ID: 75624

4-[(oxan-2-yloxy)methyl]-1-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]et...

$$$$ Data

M. F.

C22H32BN3O5

Suppliers	Catalog Number
Apollo Scientific	OR11610

Database	Data ID
PubChem	44118599

M. W.

429.31758

CAS

Similarity

N/A

ID: 75625

6-chloro-N-cyclopropyl-2-(methylsulfanyl)pyrimidin-4-amine

$$$$ Data

M. F.

C8H10ClN3S

Suppliers	Catalog Number
Apollo Scientific	OR11613

Database	Data ID
PubChem	26370018

M. W.

215.7031

CAS

Similarity

N/A

ID: 75626

5-bromo-4-(4-methylphenyl)pyrimidine

$$$$ Data

M. F.

C11H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11614

Database	Data ID
PubChem	20093006

M. W.

249.10656

CAS

149323-50-2

Similarity

N/A

ID: 75627

1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C5H6N2O

Suppliers	Catalog Number
Apollo Scientific	OR11616

Database	Data ID
PubChem	573553

M. W.

110.11394

CAS

4551-72-8

Similarity

N/A

ID: 75628

2',7'-dibromo-3-ethenylspiro[cyclopropane-1,9'-fluorene]

$$$$ Data

M. F.

C17H12Br2

Suppliers	Catalog Number
Apollo Scientific	OR11617

Database	Data ID
PubChem	44118600

M. W.

376.08518

CAS

Similarity

N/A

ID: 75629

2',7'-dibromospiro[cyclopentane-1,9'-fluoren]-3-ene

$$$$ Data

M. F.

C17H12Br2

Suppliers	Catalog Number
Apollo Scientific	OR11618

Database	Data ID
PubChem	44118601

M. W.

376.08518

CAS

Similarity

N/A

ID: 75630

4-bromo-N,N-bis(propan-2-yl)benzamide

$$$$ Data

M. F.

C13H18BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11619

Database	Data ID
PubChem	3616988

M. W.

284.19212

CAS

79606-46-5

Similarity

N/A

ID: 75631

4-bromo-N-(furan-2-ylmethyl)benzamide

$$$$ Data

M. F.

C12H10BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR11620

Database	Data ID
PubChem	674898

M. W.

280.1173

CAS

312587-75-0

Similarity

N/A

ID: 75632

4-bromo-N-cyclohexylbenzamide

$$$$ Data

M. F.

C13H16BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11621

Database	Data ID
PubChem	768944

M. W.

282.17624

CAS

223553-87-5

Similarity

N/A

ID: 75633

4-(4-bromobenzoyl)morpholine

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR11622

Database	Data ID
PubChem	532148

M. W.

270.12248

CAS

127580-92-1

Similarity

N/A

ID: 75634

4-bromo-N-phenylbenzamide

$$$$ Data

M. F.

C13H10BrNO

Suppliers	Catalog Number
Alfa Aesar	H50597
Apollo Scientific	OR11623

Database	Data ID
PubChem	690966

M. W.

276.1286

CAS

6846-12-4

Similarity

N/A

ID: 75635

4-bromo-N-propylbenzamide

$$$$ Data

M. F.

C10H12BrNO

Suppliers	Catalog Number
ChemBridge	5346660
Apollo Scientific	OR11625

Database	Data ID
PubChem	3113344

M. W.

242.11238

CAS

223557-19-5

Similarity

N/A

ID: 75636

1-(4-bromobenzoyl)pyrrolidine

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Alfa Aesar	H57610
Apollo Scientific	OR11626

Database	Data ID
PubChem	819718

M. W.

254.12308

CAS

5543-27-1

Similarity

N/A

ID: 75637

4-bromo-N-cyclopentylbenzamide

$$$$ Data

M. F.

C12H14BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11627
A&J Pharmtech	AJA-O4612

Database	Data ID
PubChem	698458

M. W.

268.14966

CAS

223557-21-9

Similarity

N/A

ID: 75638

4-bromo-N-(2-methylpropyl)benzamide

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Alfa Aesar	H57385
Apollo Scientific	OR11628

Database	Data ID
PubChem	698466

M. W.

256.13896

CAS

161768-66-7

Similarity

N/A

ID: 75639

4-bromo-N-(propan-2-yl)benzamide

$$$$ Data

M. F.

C10H12BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11629

Database	Data ID
PubChem	3658621

M. W.

242.11238

CAS

336182-29-7

Similarity

N/A

ID: 75640

4-bromobenzamide

$$$$ Data More

M. F.

C7H6BrNO

Suppliers	Catalog Number
Sigma Aldrich	190772
MP Biomedicals	05205347
Alfa Aesar	B24348

Database	Data ID
PubChem	69683

M. W.

200.03264

CAS

698-67-9

Similarity

N/A

ID: 75641

1-(2-bromobenzenesulfonyl)piperidine

$$$$ Data

M. F.

C11H14BrNO2S

Suppliers	Catalog Number
Alfa Aesar	H60748
Apollo Scientific	OR11632

Database	Data ID
PubChem	26370022

M. W.

304.20336

CAS

951883-98-0

Similarity

N/A

ID: 75642

2-bromo-N-pentylbenzene-1-sulfonamide

$$$$ Data

M. F.

C11H16BrNO2S

Suppliers	Catalog Number
Apollo Scientific	OR11633

Database	Data ID
PubChem	3689994

M. W.

306.21924

CAS

Similarity

N/A

ID: 75643

5-bromo-4-phenylpyrimidine

$$$$ Data

M. F.

C10H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11634

Database	Data ID
PubChem	817365

M. W.

235.07998

CAS

Similarity

N/A

ID: 75644

2-bromo-N-ethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H10BrNO2S

Suppliers	Catalog Number
Alfa Aesar	H60312
Apollo Scientific	OR11637

Database	Data ID
PubChem	16384800

M. W.

264.1395

CAS

169189-80-4

Similarity

N/A

ID: 75645

6-chloro-N-cyclohexylpyridazin-3-amine

$$$$ Data

M. F.

C10H14ClN3

Suppliers	Catalog Number
Apollo Scientific	OR11638
InterBioScreen	BB_SC-8344

Database	Data ID
PubChem	3221059

M. W.

211.69126

CAS

1014-77-3

Similarity

N/A

ID: 75646

6-chloro-N-pentylpyrazin-2-amine

$$$$ Data

M. F.

C9H14ClN3

Suppliers	Catalog Number
Apollo Scientific	OR11639

Database	Data ID
PubChem	22249172

M. W.

199.68056

CAS

Similarity

N/A

ID: 75647

1-(5-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one

$$$$ Data

M. F.

C6H3BrCl3NO

Suppliers	Catalog Number
Apollo Scientific	OR11640

Database	Data ID
PubChem	26370026

M. W.

291.35712

CAS

Similarity

N/A

ID: 75648

2-bromo-N-(3-methoxypropyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C10H14BrNO3S

Suppliers	Catalog Number
Apollo Scientific	OR11642

Database	Data ID
PubChem	4825017

M. W.

308.19206

CAS

848906-56-9

Similarity

N/A

ID: 75649

[3-chloro-5-(diethylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C11H15BClNO3

Suppliers	Catalog Number
Apollo Scientific	OR11644
Bide Pharmatech	BD230691

Database	Data ID
PubChem	44118602

M. W.

255.5057

CAS

957120-59-1

Similarity

N/A

ID: 75650

2-bromo-N-(furan-2-ylmethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C11H10BrNO3S

Suppliers	Catalog Number
Apollo Scientific	OR11645

Database	Data ID
PubChem	3804100

M. W.

316.171

CAS

849056-66-2

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