Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H11BrO

Suppliers	Catalog Number
TRC	B685265
Bide Pharmatech	BD224088

Database	Data ID
PubChem	10607172

M. W.

167.04424

CAS

35979-69-2

Similarity

N/A

ID: 162952

2-[4-(bromomethyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12BrNO

Suppliers	Catalog Number
TRC	B685270

Database	Data ID
PubChem	15219006

M. W.

290.15518

CAS

147404-72-6

Similarity

N/A

ID: 162953

2-[4-(bromomethyl)phenyl]benzoic acid

$$$$ Data

M. F.

C14H11BrO2

Suppliers	Catalog Number
TRC	B685275

Database	Data ID
PubChem	9796043

M. W.

291.13994

CAS

150766-86-2

Similarity

N/A

ID: 162954

methyl 3-bromo-2-methylbenzoate

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
TRC	B685285
Chemik	CHB53964
Bide Pharmatech	BD84969

Database	Data ID
PubChem	12929135

M. W.

229.07056

CAS

99548-54-6

Similarity

N/A

ID: 162955

methyl 2-[4-(bromomethyl)phenyl]benzoate

$$$$ Data

M. F.

C15H13BrO2

Suppliers	Catalog Number
TRC	B685305

Database	Data ID
PubChem	11012181

M. W.

305.16652

CAS

114772-38-2

Similarity

N/A

ID: 162956

5-{2-[4-(bromomethyl)(²H₄)phenyl]phenyl}-1-(triphenylmethy...

$$$$ Data

M. F.

C33H25BrN4

Suppliers	Catalog Number
TRC	B685312

Database	Data ID
PubChem	71314255

M. W.

557.4824

CAS

Similarity

N/A

ID: 162957

tert-butyl N-(3-bromopropyl)-N-methylcarbamate

$$$$ Data

M. F.

C9H18BrNO2

Suppliers	Catalog Number
TRC	B685315

Database	Data ID
PubChem	46780899

M. W.

252.14872

CAS

828272-19-1

Similarity

N/A

ID: 162958

1-[2-(bromomethyl)-4-chlorophenoxy]-4-methoxy-2-nitrobenzene

$$$$ Data

M. F.

C14H11BrClNO4

Suppliers	Catalog Number
TRC	B685320

Database	Data ID
PubChem	53406734

M. W.

372.59844

CAS

1215782-19-6

Similarity

N/A

ID: 162959

(3S,8aS)-3-(bromomethyl)-3-[6-(4-chlorophenoxy)hexyl]-hexahydro-1H-pyrrolo[2,1-c...

$$$$ Data

M. F.

C20H25BrClNO4

Suppliers	Catalog Number
TRC	B685325

Database	Data ID
PubChem	29974992

M. W.

458.7738

CAS

467235-26-3

Similarity

N/A

ID: 162960

1-[bromo(²H₂)methyl](1-²H)cyclopropane

$$$$ Data

M. F.

C4H7Br

Suppliers	Catalog Number
TRC	B685332

Database	Data ID
PubChem	71314256

M. W.

135.00238

CAS

1219799-17-3

Similarity

N/A

ID: 162961

4-[bromo(²H₂)methyl]-2,2-dimethyl(²H₃

$$$$ Data

M. F.

C6H11BrO2

Suppliers	Catalog Number
TRC	B685342

Database	Data ID
PubChem	71314257

M. W.

195.05434

CAS

Similarity

N/A

ID: 162962

3-(bromomethyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-ol

$$$$ Data

M. F.

C9H16BrNO

Suppliers	Catalog Number
TRC	B685345

Database	Data ID
PubChem	15257447

M. W.

234.13344

CAS

76893-32-8

Similarity

N/A

ID: 162963

1-(2H-1,3-benzodioxol-5-yl)-2-bromopropan-1-one

$$$$ Data

M. F.

C10H9BrO3

Suppliers	Catalog Number
TRC	B685355

Database	Data ID
PubChem	10467629

M. W.

257.08066

CAS

52190-28-0

Similarity

N/A

ID: 162964

[bromo(phosphono)methyl]phosphonic acid

$$$$ Data

M. F.

CH5BrO6P2

Suppliers	Catalog Number
TRC	B685360

Database	Data ID
PubChem	151721

M. W.

254.898322

CAS

10596-21-1

Similarity

N/A

ID: 162965

1-(bromomethyl)-7-fluoronaphthalene

$$$$ Data

M. F.

C11H8BrF

Suppliers	Catalog Number
TRC	B685365

Database	Data ID
PubChem	15657420

M. W.

239.0836232

CAS

70631-50-4

Similarity

N/A

ID: 162966

1-(3-bromoprop-1-en-2-yl)-2,4-difluorobenzene

$$$$ Data

M. F.

C9H7BrF2

Suppliers	Catalog Number
TRC	B685370

Database	Data ID
PubChem	11806557

M. W.

233.0526864

CAS

159276-58-1

Similarity

N/A

ID: 162967

(2S)-2-(bromomethyl)-8-(4-chlorophenoxy)-2-hydroxyoctanoic acid

$$$$ Data

M. F.

C15H20BrClO4

Suppliers	Catalog Number
TRC	B685375

Database	Data ID
PubChem	29974996

M. W.

379.6739

CAS

467235-27-4

Similarity

N/A

ID: 162968

tert-butyl 2-[4-(bromomethyl)phenyl]benzoate

$$$$ Data

M. F.

C18H19BrO2

Suppliers	Catalog Number
TRC	B685385
Bide Pharmatech	BD16881

Database	Data ID
PubChem	9906257

M. W.

347.24626

CAS

114772-40-6

Similarity

N/A

ID: 162969

8-(bromomethyl)isoquinoline

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
TRC	B685390

Database	Data ID
PubChem	44119196

M. W.

222.08122

CAS

942579-56-8

Similarity

N/A

ID: 162970

2-(bromomethyl)quinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C9H7BrN2O2

Suppliers	Catalog Number
TRC	B685395

Database	Data ID
PubChem	12253301

M. W.

255.06808

CAS

18080-66-5

Similarity

N/A

ID: 162971

[(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoat...

$$$$ Data

M. F.

C18H15BrCl2O4

Suppliers	Catalog Number
TRC	B685405

Database	Data ID
PubChem	1390983

M. W.

446.1193

CAS

61397-56-6

Similarity

N/A

ID: 162972

4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene

$$$$ Data

M. F.

C12H17BrO3

Suppliers	Catalog Number
TRC	B685410

Database	Data ID
PubChem	11558329

M. W.

289.16558

CAS

172900-73-1

Similarity

N/A

ID: 162973

$$$$ Data

M. F.

C11H19BrNO3S2

Suppliers	Catalog Number
TRC	B685415

Database	Data ID
PubChem	71314258

M. W.

357.30746

CAS

Similarity

N/A

ID: 162974

4-(bromomethyl)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1,2-oxazol-3-one

$$$$ Data

M. F.

C7H10BrNO3

Suppliers	Catalog Number
TRC	B685420

Database	Data ID
PubChem	10922501

M. W.

236.0632

CAS

153201-10-6

Similarity

N/A

ID: 162975

6-(bromomethyl)-2-methyl-1,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C10H9BrN2O

Suppliers	Catalog Number
TRC	B685430

Database	Data ID
PubChem	599520

M. W.

253.09526

CAS

112888-43-4

Similarity

N/A

ID: 162976

2-{[5-(bromomethyl)thiophen-2-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C14H10BrNO2S

Suppliers	Catalog Number
TRC	B685450

Database	Data ID
PubChem	5044224

M. W.

336.2037

CAS

166888-26-2

Similarity

N/A

ID: 162977

2-[4-(bromomethyl)phenyl]pyridine

$$$$ Data

M. F.

C12H10BrN

Suppliers	Catalog Number
TRC	B685455
Bide Pharmatech	BD19741

Database	Data ID
PubChem	9887591

M. W.

248.1185

CAS

52199-24-3

Similarity

N/A

ID: 162978

2-[4-(1-bromo-2-methylpropyl)phenyl]propanoic acid

$$$$ Data

M. F.

C13H17BrO2

Suppliers	Catalog Number
TRC	B685460

Database	Data ID
PubChem	12617409

M. W.

285.17688

CAS

75625-98-8

Similarity

N/A

ID: 162979

2-amino-7-(bromomethyl)-4,8-dihydropteridin-4-one hydrobromide

$$$$ Data

M. F.

C7H7Br2N5O

Suppliers	Catalog Number
TRC	B685470

Database	Data ID
PubChem	71314259

M. W.

336.97138

CAS

622411-17-0

Similarity

N/A

ID: 162980

6-(bromomethyl)pteridine-2,4-diamine hydrobromide

$$$$ Data

M. F.

C7H8Br2N6

Suppliers	Catalog Number
TRC	B685475

Database	Data ID
PubChem	12503242

M. W.

335.98662

CAS

52853-40-4

Similarity

N/A

ID: 162981

3-bromo-2-methylprop-2-en-1-ol

$$$$ Data

M. F.

C4H7BrO

Suppliers	Catalog Number
TRC	B685485 B685490

Database	Data ID
PubChem	6371571

M. W.

151.00178

CAS

84695-29-4

Similarity

N/A

ID: 162982

3-(bromomethyl)-7-chloro-1-benzothiophene

$$$$ Data

M. F.

C9H6BrClS

Suppliers	Catalog Number
TRC	B685515
Enamine	EN300-103645

Database	Data ID
PubChem	11379988

M. W.

261.56594

CAS

17512-61-7

Similarity

N/A

ID: 162983

5-bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C7H7BrN4

Suppliers	Catalog Number
Alfa Aesar	H59897
TRC	B685530

Database	Data ID
PubChem	66560938

M. W.

227.06128

CAS

1337532-51-0

Similarity

N/A

ID: 162984

2-bromo-1-(4-methanesulfonylphenyl)-2-methylpropan-1-one

$$$$ Data

M. F.

C11H13BrO3S

Suppliers	Catalog Number
TRC	B685550

Database	Data ID
PubChem	15489748

M. W.

305.18812

CAS

Similarity

N/A

ID: 162985

1-bromo-3-(²H₃)methyl(3,4,4,4-²H₄)bu...

$$$$ Data

M. F.

C5H11Br

Suppliers	Catalog Number
TRC	B685557

Database	Data ID
PubChem	71314261

M. W.

151.04484

CAS

Similarity

N/A

ID: 162986

2-bromo-5-(²H₃)methylpyridine

$$$$ Data

M. F.

C6H6BrN

Suppliers	Catalog Number
TRC	B685572

Database	Data ID
PubChem	45038455

M. W.

172.02254

CAS

Similarity

N/A

ID: 162987

2,6-dimethyl 4-(bromomethyl)pyridine-2,6-dicarboxylate

$$$$ Data

M. F.

C10H10BrNO4

Suppliers	Catalog Number
TRC	B685585

Database	Data ID
PubChem	71314262

M. W.

288.0947

CAS

1040401-17-9

Similarity

N/A

ID: 162988

bromo(methanesulfonylsulfanyl)methane

$$$$ Data

M. F.

C2H5BrO2S2

Suppliers	Catalog Number
TRC	B685605

Database	Data ID
PubChem	4572868

M. W.

205.0939

CAS

887353-78-8

Similarity

N/A

ID: 162989

5-bromo-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole

$$$$ Data

M. F.

C14H17BrN2

Suppliers	Catalog Number
TRC	B685640

Database	Data ID
PubChem	11185464

M. W.

293.20218

CAS

143322-57-0

Similarity

N/A

ID: 162990

2-bromo-3-(²H₃)methylthiophene

$$$$ Data

M. F.

C5H5BrS

Suppliers	Catalog Number
TRC	B685787

Database	Data ID
PubChem	45038457

M. W.

177.0622

CAS

Similarity

N/A

ID: 162991

2-[3-(bromomethyl)-5-methylphenyl]-2-methylpropanenitrile

$$$$ Data

M. F.

C12H14BrN

Suppliers	Catalog Number
TRC	B685860

Database	Data ID
PubChem	17769386

M. W.

252.15026

CAS

120512-36-9

Similarity

N/A

ID: 162992

1-bromo(²H₇)naphthalene

$$$$ Data

M. F.

C10H7Br

Suppliers	Catalog Number
TRC	B685902

Database	Data ID
PubChem	45038458

M. W.

207.06658

CAS

37621-57-1

Similarity

N/A

ID: 162993

2-bromo-1-(naphthalen-2-yl)pentan-1-one

$$$$ Data

M. F.

C15H15BrO

Suppliers	Catalog Number
TRC	B685910

Database	Data ID
PubChem	71314263

M. W.

291.183

CAS

850352-43-1

Similarity

N/A

ID: 162994

3-bromo-4-[(methanesulfonylsulfanyl)methyl]-2,2,5,5-tetramethyl-2,5-dihydro-1H-p...

$$$$ Data

M. F.

C10H18BrNO3S2

Suppliers	Catalog Number
TRC	B686290

Database	Data ID
PubChem	15348737

M. W.

344.28882

CAS

215956-55-1

Similarity

N/A

ID: 162995

5-bromopentane-1-sulfonic acid sodium

$$$$ Data

M. F.

C5H11BrNaO3S

Suppliers	Catalog Number
TRC	B686320

Database	Data ID
PubChem	71314264

M. W.

254.09781

CAS

55788-45-9

Similarity

N/A

ID: 162996

5-bromopentan-1-amine hydrochloride

$$$$ Data

M. F.

C5H13BrClN

Suppliers	Catalog Number
TRC	B686325

Database	Data ID
PubChem	57365381

M. W.

202.52042

CAS

1246816-76-1

Similarity

N/A

ID: 162997

(2Z)-but-2-enedioic acid; [(3S)-3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethy...

$$$$ Data

M. F.

C20H23BrN2O4

Suppliers	Catalog Number
TRC	B686335

Database	Data ID
PubChem	6433334

M. W.

435.31162

CAS

2391-03-9

Similarity

N/A

ID: 162998

(2Z)-but-2-enedioic acid; [(3S)-3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]bis(

$$$$ Data

M. F.

C20H23BrN2O4

Suppliers	Catalog Number
TRC	B686337

Database	Data ID
PubChem	71314265

M. W.

435.31162

CAS

Similarity

N/A

ID: 162999

5-bromopent-1-yne

$$$$ Data

M. F.

C5H7Br

Suppliers	Catalog Number
TRC	B686350
Enamine	EN300-122318

Database	Data ID
PubChem	12117575

M. W.

147.01308

CAS

28077-72-7

Similarity

N/A

ID: 163000

3-bromophenoxy(tert-butyl)dimethylsilane

$$$$ Data

M. F.

C12H19BrOSi

Suppliers	Catalog Number
Alfa Aesar	L17440
TRC	B686365
A&J Pharmtech	AJA-O3599

Database	Data ID
PubChem	11254705

M. W.

287.26816

CAS

65423-56-5

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