Basic information
- Standard SMILES
COC(=O)c1cc(F)c(C#N)cc1Cl- InChIKey
RSPMBEOIJZIVPH-UHFFFAOYSA-N- Molecular formula
- C9H5ClFNO2
- Average molar mass
- 213.59 g/mol
- Monoisotopic mass
- 212.9992843
Names & identifiers
- Preferred name
- Methyl 2-chloro-4-cyano-5-fluorobenzoate
- IUPAC
- methyl 2-chloro-4-cyano-5-fluorobenzoate
Names & synonyms
methyl 2-chloro-4-cyano-5-fluorobenzoate1141474-26-1SCHEMBL2772574RSPMBEOIJZIVPH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67528656
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Related reactions
5 records
Compound notes
Loading…