Benzoic acid, 4-(2-methylpropyl)-3-(trifluoromethyl)-
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Basic information
- Standard SMILES
CC(C)Cc1ccc(C(=O)O)cc1C(F)(F)F- InChIKey
KMBQTDRIDOTLSX-UHFFFAOYSA-N- Molecular formula
- C12H13F3O2
- Average molar mass
- 246.22 g/mol
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-methylpropyl)-3-(trifluoromethyl)-
- IUPAC
- 4-(2-methylpropyl)-3-(trifluoromethyl)benzoic acid
Names & synonyms
952511-62-54-isobutyl-3-(trifluoromethyl)benzoic acidBenzoic acid, 4-(2-methylpropyl)-3-(trifluoromethyl)-SCHEMBL1804829DB-1676884-(2-methylpropyl)-3-(trifluoromethyl)benzoic acid
Database identifiers
- PubChem CID
- 59201837
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
1 records
Compound notes
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