Basic information
- CAS
56653-43-1- Standard SMILES
Cn1c(C(=O)CBr)nc2ccccc21- InChIKey
KHFRWYRANOMZCP-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2O
- Average molar mass
- 253.09 g/mol
- Monoisotopic mass
- 251.98982501
Names & identifiers
- Preferred name
- 2-bromo-1-(1-methyl-1H-benzimidazol-2-yl)-1-ethanone
- IUPAC
- 2-bromo-1-(1-methylbenzimidazol-2-yl)ethanone
- English name
- 2-BROMO-1-(1-METHYL-1H-BENZIMIDAZOL-2-YL)-1-ETHANONE
- Molecular formula
- C10H9BrN2O
- Molecular weight
- 253.1
Names & synonyms
56653-43-12-bromo-1-(1-methyl-1H-benzimidazol-2-yl)-1-ethanone2-bromo-1-(1-methylbenzimidazol-2-yl)ethanone2-Bromo-1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethanoneMFCD062008542-bromo-1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one2-Bromo-1-(1-methyl-1H-benzo[d]imidazol-2-yl)ethan-1-one2-bromo-1-(1-methyl-1h-benzoimidazol-2-yl)-ethanone2-Bromo-1-(1-methyl-1H-benzimidazol-2-yl)ethanoneSCHEMBL2097340DTXSID60383548KHFRWYRANOMZCP-UHFFFAOYSA-N
Show more names
Ethanone, 2-bromo-1-(1-methyl-1H-benzimidazol-2-yl)-
2-BROMO-1-(1-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)-1-ETHANONESBB051679MS-22247DB-025846CS-03652932-bromo-1-(1-methylbenzimidazol-2-yl)ethan-1-one2-bromo-1-(1-methyl-1H-benzoimidazol-2-yl)ethanone2-Bromo-1-(1-methyl-1H-1,3-benzimidazol-2-yl)ethan-1-one
Database identifiers
- CAS
56653-43-1- PubChem CID
- 2795119
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 100 °C · 100 °C
- Boiling point
- 371.9 · 371.9±44.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.10(Predicted)
Chemistry & industry
Suppliers7 total
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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