Basic information
- Standard SMILES
N#Cc1ccc(C(=O)OCc2ccccc2)cc1Br- InChIKey
FGFXQTSZYIQCLY-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO2
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 314.98949
Names & identifiers
- Preferred name
- Benzyl 3-bromo-4-cyanobenzoate
- IUPAC
- benzyl 3-bromo-4-cyanobenzoate
Names & synonyms
benzyl 3-bromo-4-cyanobenzoate1149384-78-0SCHEMBL2428492FGFXQTSZYIQCLY-UHFFFAOYSA-Nphenylmethyl 3-bromo-4-cyanobenzoateDB-369842
Database identifiers
- PubChem CID
- 67404157
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
5 records
Compound notes
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