Basic information
- Standard SMILES
Cc1cc(C(=O)C=C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)O- InChIKey
OBFUDPLLJOICED-UHFFFAOYSA-N- Molecular formula
- C18H11Cl2F3O3
- Average molar mass
- 403.2 g/mol
Names & identifiers
- Preferred name
- 4-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-2-methylbenzoic acid
- IUPAC
- 4-[3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enoyl]-2-methylbenzoic acid
Names & synonyms
1095275-26-54-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-2-methylbenzoic acid4-(3-(3,5-Dichlorophenyl)-4,4,4-trifluorobut-2-enoyl)-2-methylbenzoic acidFluralaner Impurity N2SCHEMBL587949SCHEMBL29450515
Database identifiers
- PubChem CID
- 66735244
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Related reactions
6 records
Compound notes
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