4-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-2-methylbenzoic acid

HCID 66735244

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

Related reactions

6 records

Compound notes

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