Methyl 2-(2-chloro-4-fluorophenyl)pent-4-enoate
Basic information
- Standard SMILES
C=CCC(C(=O)OC)c1ccc(F)cc1Cl- InChIKey
OKKMJAGPRWMXPV-UHFFFAOYSA-N- Molecular formula
- C12H12ClFO2
- Average molar mass
- 242.67 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-chloro-4-fluorophenyl)pent-4-enoate
- IUPAC
- methyl 2-(2-chloro-4-fluorophenyl)pent-4-enoate
Names & synonyms
SCHEMBL2270371OKKMJAGPRWMXPV-UHFFFAOYSA-Nmethyl 2-(2-chloro-4-fluorophenyl)pent-4-enoate
Database identifiers
- PubChem CID
- 67342147
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
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Related reactions
4 records
Compound notes
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