Basic information
- CAS
746651-84-3- Standard SMILES
N#Cc1ccccc1C(=O)c1cccc(Br)c1- InChIKey
XFWDUJFMWPGAHQ-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO
- Average molar mass
- 286.12 g/mol
- Monoisotopic mass
- 284.97892598
Names & identifiers
- Preferred name
- 3-Bromo-2'-cyanobenzophenone
- IUPAC
- 2-(3-bromobenzoyl)benzonitrile
- English name
- 3-Bromo-2'-cyanobenzophenone
- Molecular formula
- C14H8BrNO
- Molecular weight
- 286.12
Names & synonyms
3-BROMO-2'-CYANOBENZOPHENONE746651-84-32-(3-bromobenzoyl)benzonitrileMFCD00672030SCHEMBL2085812DTXSID60641438XFWDUJFMWPGAHQ-UHFFFAOYSA-NAKOS016017825F201486Benzonitrile, 2-(3-bromobenzoyl)-
Database identifiers
- CAS
746651-84-3- PubChem CID
- 24722744
- DTXSID
DTXSID60641438- Nikkaji
- J3.226.310K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 462.1 · 462.1±30.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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