Basic information
- Standard SMILES
O=C(O)C=Cc1ccc(F)cc1Cl- InChIKey
RJCWBTRMWGOREZ-UHFFFAOYSA-N- Molecular formula
- C9H6ClFO2
- Average molar mass
- 200.59 g/mol
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-
- IUPAC
- 3-(2-chloro-4-fluorophenyl)prop-2-enoic acid
Names & synonyms
3-(2-Chloro-4-fluorophenyl)acrylic acid2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-MFCD002360273-(2-chloro-4-fluoro-phenyl)prop-2-enoic AcidSCHEMBL1167316SCHEMBL58429762-chloro-4-fluoro-cinnamic acidRJCWBTRMWGOREZ-UHFFFAOYSA-NSY101077DB-0208223-(2-chloro-4-fluorophenyl)prop-2-enoic acid, 3-(2-chloro-4-fluorophenyl)acrylic acid
Database identifiers
- PubChem CID
- 2725065
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Related reactions
5 records
Compound notes
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