Basic information
- CAS
37038-66-7- Standard SMILES
O=C(Nc1cccc(Br)c1)c1ccc(Cl)cc1- InChIKey
JMSAUSHYRKWSLE-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO
- Average molar mass
- 310.57 g/mol
- Monoisotopic mass
- 308.9556
Names & identifiers
- Preferred name
- N-(3-bromophenyl)-4-chlorobenzamide
- IUPAC
- N-(3-bromophenyl)-4-chlorobenzamide
- English name
- N-(3-bromophenyl)-4-chlorobenzamide
- Molecular formula
- C13H9BrClNO
- Molecular weight
- 310.57
Names & synonyms
N-(3-bromophenyl)-4-chlorobenzamideSTL383788AKOS000202189ST50299939N-(3-bromophenyl)(4-chlorophenyl)carboxamideBenzamide, N-(3-bromophenyl)-4-chloro-
Database identifiers
- CAS
37038-66-7- PubChem CID
- 835014
- EC Number
- 121-970-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 330.4 · 330.4±27.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- pka
- 12.47 · 12.47±0.70(Predicted)
- CAS DataBase Reference
- 37038 · 37038-66-7
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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