Basic information
- Standard SMILES
CCOC(=O)C(Cl)=C(C)c1ccc(-c2ccc(F)cc2F)cc1- InChIKey
FAZSCALXLVNHHT-UHFFFAOYSA-N- Molecular formula
- C18H15ClF2O2
- Average molar mass
- 336.8 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-3-(2',4'-difluoro-4-biphenylyl)-2-butenoic acid ethyl ester
- IUPAC
- ethyl 2-chloro-3-[4-(2,4-difluorophenyl)phenyl]but-2-enoate
Names & synonyms
SCHEMBL11542338FAZSCALXLVNHHT-UHFFFAOYSA-N2-chloro-3-(2',4'-difluoro-4-biphenylyl)-2-butenoic acid ethyl ester
Database identifiers
- PubChem CID
- 53789753
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
2 records
Compound notes
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