Basic information
- Standard SMILES
O=C(O)/C=C/c1ccc(F)c(Cl)c1- InChIKey
OYFKFZBXVYKVCD-DUXPYHPUSA-N- Molecular formula
- C9H6ClFO2
- Average molar mass
- 200.59 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-fluorocinnamic acid
- IUPAC
- (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acid
Names & synonyms
3-Chloro-4-fluorocinnamic acid155814-22-558537-11-43-(3-CHLORO-4-FLUOROPHENYL)ACRYLIC ACID(2E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acidMFCD01631393(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acid2-Propenoic acid, 3-(3-chloro-4-fluorophenyl)-, (2E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acid(e)-3-(3-chloro-4-fluorophenyl)acrylic acid(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoic acidSCHEMBL1167812
Show more names
OYFKFZBXVYKVCD-DUXPYHPUSA-N(E)-3-chloro-4-fluorocinnamic acidCK2533SBB092665AKOS001082084trans 4-fluoro-3-chloro-cinnamic acidPS-6304NCGC00337674-01
Database identifiers
- PubChem CID
- 2063883
Properties
Computed structural properties
- XLogP
- 2.6
- 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
4 records
Compound notes
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