[3-Chloro-4-(trifluoromethyl)phenoxy]acetic acid
Basic information
- Standard SMILES
O=C(O)COc1ccc(C(F)(F)F)c(Cl)c1- InChIKey
AXCLSNYNVLLEGM-UHFFFAOYSA-N- Molecular formula
- C9H6ClF3O3
- Average molar mass
- 254.59 g/mol
- Monoisotopic mass
- 253.9957562
Names & identifiers
- Preferred name
- [3-Chloro-4-(trifluoromethyl)phenoxy]acetic acid
- IUPAC
- 2-[3-chloro-4-(trifluoromethyl)phenoxy]acetic acid
Names & synonyms
2-[3-chloro-4-(trifluoromethyl)phenoxy]acetic acid886842-72-4[3-Chloro-4-(trifluoromethyl)phenoxy]acetic acidSCHEMBL4640602DB-376562EN300-1931054
Database identifiers
- PubChem CID
- 21097484
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
3 records
Compound notes
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