Chembase list of 866358 unique molecular structures

4-(2-amino-4-bromo-1H-imidazol-5-yl)-2,3-dibromo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c...

$$$$ Data

M. F.

C11H10Br3N5O

Suppliers	Catalog Number
TRC	B684425

Database	Data ID
PubChem	10671956

M. W.

467.942

CAS

184887-85-2

Similarity

N/A

ID: 162902

6-bromohexan-1-amine hydrobromide

$$$$ Data

M. F.

C6H15Br2N

Suppliers	Catalog Number
TRC	B684430

Database	Data ID
PubChem	45038450

M. W.

260.998

CAS

14502-76-2

Similarity

N/A

ID: 162903

(6-bromohexyl)triethylazanium bromide

$$$$ Data

M. F.

C12H27Br2N

Suppliers	Catalog Number
TRC	B684435

Database	Data ID
PubChem	46780898

M. W.

345.15748

CAS

161097-76-3

Similarity

N/A

ID: 162904

2-bromo-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]acetamide

$$$$ Data

M. F.

C14H13BrFN3O2

Suppliers	Catalog Number
TRC	B684530

Database	Data ID
PubChem	12393519

M. W.

354.1743232

CAS

63960-69-0

Similarity

N/A

ID: 162905

2-bromo-2,3-dihydro-1H-indene

$$$$ Data

M. F.

C9H9Br

Suppliers	Catalog Number
TRC	B684600
Enamine	EN300-72436

Database	Data ID
PubChem	10965463

M. W.

197.07176

CAS

17623-96-0

Similarity

N/A

ID: 162906

(2R,3S,5R)-2-[(6-bromonaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

$$$$ Data

M. F.

C16H17BrO6

Suppliers	Catalog Number
TRC	B685975

Database	Data ID
PubChem	45038459

M. W.

385.20658

CAS

25997-59-5

Similarity

N/A

ID: 162907

6-bromo-2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,

$$$$ Data

M. F.

C15H13BrN4O

Suppliers	Catalog Number
TRC	B685985

Database	Data ID
PubChem	10688860

M. W.

345.19392

CAS

284686-21-1

Similarity

N/A

ID: 162908

1-bromo-4-nitro(²H₄)benzene

$$$$ Data

M. F.

C6H4BrNO2

Suppliers	Catalog Number
TRC	B686179

Database	Data ID
PubChem	45038461

M. W.

202.00546

CAS

350820-19-8

Similarity

N/A

ID: 162909

1-bromo-3-nitro(²H₄)benzene

$$$$ Data

M. F.

C6H4BrNO2

Suppliers	Catalog Number
TRC	B686187

Database	Data ID
PubChem	71314248

M. W.

202.00546

CAS

Similarity

N/A

ID: 162910

3-bromo-5-(pyrrolidin-2-yl)pyridine

$$$$ Data

M. F.

C9H11BrN2

Suppliers	Catalog Number
TRC	B686195

Database	Data ID
PubChem	4403815

M. W.

227.10104

CAS

71719-06-7

Similarity

N/A

ID: 162911

1-[(E)-2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene

$$$$ Data

M. F.

C15H12BrNO3

Suppliers	Catalog Number
TRC	B686240

Database	Data ID
PubChem	10688120

M. W.

334.16468

CAS

Similarity

N/A

ID: 162912

1-[(Z)-2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene

$$$$ Data

M. F.

C15H12BrNO3

Suppliers	Catalog Number
TRC	B686241

Database	Data ID
PubChem	71314249

M. W.

334.16468

CAS

Similarity

N/A

ID: 162913

3-bromo-4-nitrophenol

$$$$ Data

M. F.

C6H4BrNO3

Suppliers	Catalog Number
TRC	B686255
Bide Pharmatech	BD85111
A&J Pharmtech	AJA-O9991 AJA-O13535 AJA-O13485

Database	Data ID
PubChem	21647

M. W.

218.00486

CAS

5470-65-5

Similarity

N/A

ID: 162914

5-bromo-3-nitro-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C5H3BrN2O3

Suppliers	Catalog Number
TRC	B686265
Bide Pharmatech	BD9522

Database	Data ID
PubChem	85147

M. W.

218.99292

CAS

15862-34-7

Similarity

N/A

ID: 162915

4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C9H14BrNO3

Suppliers	Catalog Number
TRC	B686270

Database	Data ID
PubChem	15348735

M. W.

264.11636

CAS

78033-69-9

Similarity

N/A

ID: 162916

2-bromo-1,3-oxazole

$$$$ Data

M. F.

C3H2BrNO

Suppliers	Catalog Number
ChemBridge	4039122
TRC	B686275
A&J Pharmtech	AJA-O20759

Database	Data ID
PubChem	14931772

M. W.

147.95808

CAS

125533-82-6

Similarity

N/A

ID: 162917

sodium 1-(3-bromophenyl)-1,3-dioxopropan-2-ide

$$$$ Data

M. F.

C9H6BrNaO2

Suppliers	Catalog Number
TRC	B686280

Database	Data ID
PubChem	46780900

M. W.

249.03651

CAS

933054-29-6

Similarity

N/A

ID: 162918

methyl 6-bromo-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxylate

$$$$ Data

M. F.

C10H9BrN2O3

Suppliers	Catalog Number
TRC	B686285
A&J Pharmtech	AJA-O24289

Database	Data ID
PubChem	11108881

M. W.

285.09406

CAS

335031-10-2

Similarity

N/A

ID: 162919

3-bromo-[1,2,4]triazolo[3,4-a]phthalazine

$$$$ Data

M. F.

C9H5BrN4

Suppliers	Catalog Number
TRC	B688348

Database	Data ID
PubChem	29975068

M. W.

249.0668

CAS

21537-95-1

Similarity

N/A

ID: 162920

(3S,4R,5R,6S)-4,5-bis(benzoyloxy)-2-bromo-6-methyloxan-3-yl benzoate

$$$$ Data

M. F.

C27H23BrO7

Suppliers	Catalog Number
TRC	B688350

Database	Data ID
PubChem	71314250

M. W.

539.37132

CAS

855662-12-3

Similarity

N/A

ID: 162921

methyl (2S,3S,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-bromooxane-2-carboxylate

$$$$ Data

M. F.

C28H23BrO9

Suppliers	Catalog Number
TRC	B688353

Database	Data ID
PubChem	10076992

M. W.

583.38082

CAS

103674-69-7

Similarity

N/A

ID: 162922

(3-bromopropyl)tributylazanium bromide

$$$$ Data

M. F.

C15H33Br2N

Suppliers	Catalog Number
TRC	B688355

Database	Data ID
PubChem	57369131

M. W.

387.23722

CAS

Similarity

N/A

ID: 162923

(6-bromohexyl)trihexylazanium bromide

$$$$ Data

M. F.

C24H51Br2N

Suppliers	Catalog Number
TRC	B688400

Database	Data ID
PubChem	57369209

M. W.

513.47644

CAS

Similarity

N/A

ID: 162924

(7-bromoheptyl)trimethylazanium bromide

$$$$ Data

M. F.

C10H23Br2N

Suppliers	Catalog Number
TRC	B688515

Database	Data ID
PubChem	46783693

M. W.

317.10432

CAS

1159174-36-3

Similarity

N/A

ID: 162925

(6-bromohexyl)trimethylazanium bromide

$$$$ Data

M. F.

C9H21Br2N

Suppliers	Catalog Number
TRC	B688520

Database	Data ID
PubChem	9857584

M. W.

303.07774

CAS

32765-81-4

Similarity

N/A

ID: 162926

(2-bromo-3,4-dimethoxyphenyl)methanol

$$$$ Data

M. F.

C9H11BrO3

Suppliers	Catalog Number
TRC	B688980

Database	Data ID
PubChem	13697576

M. W.

247.08584

CAS

72912-38-0

Similarity

N/A

ID: 162927

[2-bromo-3-(²H₃)methoxy-4-methoxyphenyl]methanol

$$$$ Data

M. F.

C9H11BrO3

Suppliers	Catalog Number
TRC	B688982

Database	Data ID
PubChem	71314251

M. W.

247.08584

CAS

Similarity

N/A

ID: 162928

2-bromo-3,4-dimethoxybenzaldehyde

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
TRC	B688990

Database	Data ID
PubChem	618538

M. W.

245.06996

CAS

55171-60-3

Similarity

N/A

ID: 162929

2-bromo-1-phenylpentan-1-one

$$$$ Data

M. F.

C11H13BrO

Suppliers	Catalog Number
TRC	B689020

Database	Data ID
PubChem	10705254

M. W.

241.12432

CAS

49851-31-2

Similarity

N/A

ID: 162930

2-bromo-2-iodoacetic acid

$$$$ Data

M. F.

C2H2BrIO2

Suppliers	Catalog Number
TRC	B684625

Database	Data ID
PubChem	56935838

M. W.

264.84455

CAS

71815-43-5

Similarity

N/A

ID: 162931

2-bromo-1-[4-(propan-2-yl)phenyl]ethan-1-one

$$$$ Data

M. F.

C11H13BrO

Suppliers	Catalog Number
TRC	B684650
Enamine	EN300-67199

Database	Data ID
PubChem	14042756

M. W.

241.12432

CAS

51012-62-5

Similarity

N/A

ID: 162932

N-(3-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide

$$$$ Data

M. F.

C14H21BrN2O

Suppliers	Catalog Number
TRC	B684700

Database	Data ID
PubChem	69717818

M. W.

313.23334

CAS

1044658-01-6

Similarity

N/A

ID: 162933

methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(2-methoxy-4-methylphenoxy)oxane...

$$$$ Data

M. F.

C21H26O11

Suppliers	Catalog Number
TRC	B684730

Database	Data ID
PubChem	71314252

M. W.

454.42454

CAS

Similarity

N/A

ID: 162934

2-bromo-4-sulfanylbenzoic acid

$$$$ Data

M. F.

C7H5BrO2S

Suppliers	Catalog Number
TRC	B684750

Database	Data ID
PubChem	5048190

M. W.

233.0824

CAS

7041-50-1

Similarity

N/A

ID: 162935

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

$$$$ Data

M. F.

C8H8BrClO

Suppliers	Catalog Number
TRC	B684755

Database	Data ID
PubChem	18624207

M. W.

235.50552

CAS

66916-97-0

Similarity

N/A

ID: 162936

(2S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol

$$$$ Data

M. F.

C17H19BrO3

Suppliers	Catalog Number
TRC	B684760

Database	Data ID
PubChem	15605689

M. W.

351.23496

CAS

917379-11-4

Similarity

N/A

ID: 162937

3-bromo-2-(1-methoxybutyl)-1-benzofuran

$$$$ Data

M. F.

C13H15BrO2

Suppliers	Catalog Number
TRC	B684765

Database	Data ID
PubChem	71314253

M. W.

283.161

CAS

Similarity

N/A

ID: 162938

1-bromo-4-methoxynaphthalene

$$$$ Data

M. F.

C11H9BrO

Suppliers	Catalog Number
TRC	B684785
A&J Pharmtech	AJA-O10540

Database	Data ID
PubChem	138521

M. W.

237.09256

CAS

5467-58-3

Similarity

N/A

ID: 162939

2-bromo-3-methoxy-6-nitropyridine

$$$$ Data

M. F.

C6H5BrN2O3

Suppliers	Catalog Number
TRC	B684790
A&J Pharmtech	AJA-O29691

Database	Data ID
PubChem	12692873

M. W.

233.0195

CAS

76066-07-4

Similarity

N/A

ID: 162940

2-bromo-1-[3-(¹³C,²H₃)methoxyphenyl]...

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
TRC	B684802

Database	Data ID
PubChem	71314254

M. W.

230.06321484

CAS

Similarity

N/A

ID: 162941

5-bromo-2-methoxy-4-methyl-3-nitropyridine

$$$$ Data

M. F.

C7H7BrN2O3

Suppliers	Catalog Number
TRC	B684810

Database	Data ID
PubChem	40786909

M. W.

247.04608

CAS

884495-14-1

Similarity

N/A

ID: 162942

5-bromo-2-methoxybenzene-1,3-diol

$$$$ Data

M. F.

C7H7BrO3

Suppliers	Catalog Number
TRC	B684875

Database	Data ID
PubChem	10176804

M. W.

219.03268

CAS

133932-61-3

Similarity

N/A

ID: 162943

5-(2-bromopropanoyl)-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C10H12BrNO4S

Suppliers	Catalog Number
TRC	B684910

Database	Data ID
PubChem	45038453

M. W.

322.17558

CAS

86225-70-9

Similarity

N/A

ID: 162944

5-[2-bromo(3,3,3-²H₃)propanoyl]-2-methoxybenzene-1-sulfona...

$$$$ Data

M. F.

C10H12BrNO4S

Suppliers	Catalog Number
TRC	B684912

Database	Data ID
PubChem	45038454

M. W.

322.17558

CAS

Similarity

N/A

ID: 162945

2-bromo-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C11H11BrO2

Suppliers	Catalog Number
TRC	B684920

Database	Data ID
PubChem	311906

M. W.

255.10784

CAS

85928-57-0

Similarity

N/A

ID: 162946

2-(2-bromophenyl)acetaldehyde

$$$$ Data

M. F.

C8H7BrO

Suppliers	Catalog Number
TRC	B684925

Database	Data ID
PubChem	11424180

M. W.

199.04458

CAS

96557-30-1

Similarity

N/A

ID: 162947

2-bromo-1-[4-(²H₃)methylphenyl]ethan-1-one

$$$$ Data

M. F.

C9H9BrO

Suppliers	Catalog Number
TRC	B684952

Database	Data ID
PubChem	59424708

M. W.

213.07116

CAS

Similarity

N/A

ID: 162948

1-bromo-3-methyladamantane

$$$$ Data

M. F.

C11H17Br

Suppliers	Catalog Number
TRC	B685050

Database	Data ID
PubChem	429462

M. W.

229.15668

CAS

702-77-2

Similarity

N/A

ID: 162949

1-bromo-3-methoxy-5-methylbenzene

$$$$ Data

M. F.

C8H9BrO

Suppliers	Catalog Number
TRC	B685150
Bide Pharmatech	BD6458
A&J Pharmtech	AJA-O2817 AJA-O23903

Database	Data ID
PubChem	10679554

M. W.

201.06046

CAS

29578-83-4

Similarity

N/A

ID: 162950

3-(bromomethyl)-1,2-benzoxazole

$$$$ Data

M. F.

C8H6BrNO

Suppliers	Catalog Number
TRC	B685250
A&J Pharmtech	AJA-O11209 AJA-O12940

Database	Data ID
PubChem	3499189

M. W.

212.04334

CAS

37924-85-9

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