Basic information
- Standard SMILES
C=Cc1ccc(Nc2c(C(=O)O)ccc(F)c2F)c(F)c1- InChIKey
HANQZDCSUPGNEG-UHFFFAOYSA-N- Molecular formula
- C15H10F3NO2
- Average molar mass
- 293.24 g/mol
Names & identifiers
- Preferred name
- 3,4-Difluoro-2-[(2-fluoro-4-vinylphenyl)amino]benzoic acid
- IUPAC
- 2-(4-ethenyl-2-fluoroanilino)-3,4-difluorobenzoic acid
Names & synonyms
SCHEMBL5991936HANQZDCSUPGNEG-UHFFFAOYSA-N3,4-difluoro-2-[(2-fluoro-4-vinylphenyl)amino]benzoic acid
Database identifiers
- PubChem CID
- 22025641
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Related reactions
5 records
Compound notes
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