3-Chloro-4-(cyanomethyl)benzoyl chloride
Basic information
- Standard SMILES
N#CCc1ccc(C(=O)Cl)cc1Cl- InChIKey
QANZLZOACIWHPO-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2NO
- Average molar mass
- 214.04 g/mol
- Monoisotopic mass
- 212.9748192
Names & identifiers
- Preferred name
- 3-Chloro-4-(cyanomethyl)benzoyl chloride
- IUPAC
- 3-chloro-4-(cyanomethyl)benzoyl chloride
Names & synonyms
SCHEMBL5832729QANZLZOACIWHPO-UHFFFAOYSA-N3-chloro-4-(cyanomethyl)benzoyl chloride
Database identifiers
- PubChem CID
- 21990969
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
1 records
Compound notes
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