Basic information
- Standard SMILES
CCOc1cccc(Cl)c1C#N- InChIKey
MXJYARUABCVQLQ-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO
- Average molar mass
- 181.62 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-6-ethoxybenzonitrile
- IUPAC
- 2-chloro-6-ethoxybenzonitrile
Names & synonyms
2-chloro-6-ethoxybenzonitrileSCHEMBL686987MXJYARUABCVQLQ-UHFFFAOYSA-NAKOS011785414422518-38-5
Database identifiers
- PubChem CID
- 22270929
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
6 records
Compound notes
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