Basic information
- Standard SMILES
COc1ccc(C(=O)CBr)cc1C#N- InChIKey
HLZKLBCFSOBUFY-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO2
- Average molar mass
- 254.08 g/mol
- Monoisotopic mass
- 252.97384
Names & identifiers
- Preferred name
- 5-(2-Bromoacetyl)-2-methoxybenzonitrile
- IUPAC
- 5-(2-bromoacetyl)-2-methoxybenzonitrile
Names & synonyms
SCHEMBL1557653SCHEMBL30622639HLZKLBCFSOBUFY-UHFFFAOYSA-N5-(2-bromoacetyl)-2-methoxybenzonitrile
Database identifiers
- PubChem CID
- 58368019
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
1 records
Compound notes
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