Basic information
- Standard SMILES
N#Cc1ccc(-c2ccc(C(=O)CBr)cc2)cc1- InChIKey
MCIQJMKKYZJOHC-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO
- Average molar mass
- 300.15 g/mol
- Monoisotopic mass
- 298.99458
Names & identifiers
- Preferred name
- 4'-(2-Bromoacetyl)[1,1'-biphenyl]-4-carbonitrile
- IUPAC
- 4-[4-(2-bromoacetyl)phenyl]benzonitrile
Names & synonyms
SCHEMBL6291931MCIQJMKKYZJOHC-UHFFFAOYSA-N4'-(2-Bromoacetyl)[1,1'-biphenyl]-4-carbonitrile
Database identifiers
- PubChem CID
- 22472886
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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