Basic information
- Standard SMILES
COC(=O)Cc1ccc(C#N)c(Cl)c1- InChIKey
HRCAEIYWKMZVDT-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-chloro-4-cyanophenyl)acetate
- IUPAC
- methyl 2-(3-chloro-4-cyanophenyl)acetate
Names & synonyms
methyl 2-(3-chloro-4-cyanophenyl)acetate496856-45-2Benzeneacetic acid, 3-chloro-4-cyano-, methyl esterMETHYL 4-CYANO-3-CHLOROPHENYLACETATESCHEMBL2480987HRCAEIYWKMZVDT-UHFFFAOYSA-NRBA33967methyl2-(3-chloro-4-cyanophenyl)acetate(3-chloro-4-cyano-phenyl)acetic acid methyl ester
Database identifiers
- PubChem CID
- 3564186
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
5 records
Compound notes
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