Basic information
- Standard SMILES
Nc1c(Cl)cc(/C=C(/O)C(=O)O)cc1C(F)(F)F- InChIKey
ODMVFKPBIPSFIM-XVNBXDOJSA-N- Molecular formula
- C10H7ClF3NO3
- Average molar mass
- 281.61 g/mol
Names & identifiers
- Preferred name
- (E)-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-hydroxy-acrylic acid
- IUPAC
- (E)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyprop-2-enoic acid
Names & synonyms
(E)-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-hydroxy-acrylic acidSCHEMBL1462597
Database identifiers
- PubChem CID
- 67043136
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
2 records
Compound notes
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