Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1cc(C(F)(F)F)cc(Cl)c1C(=O)O- InChIKey
NITWUCXIONWXNU-UHFFFAOYSA-N- Molecular formula
- C13H12ClF3O4
- Average molar mass
- 324.68 g/mol
Names & identifiers
- Preferred name
- 2-(tert-Butoxycarbonyl)-6-chloro-4-trifluoromethylbenzoic acid
- IUPAC
- 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)benzoic acid
Names & synonyms
2-(tert-Butoxycarbonyl)-6-chloro-4-trifluoromethylbenzoic acidSCHEMBL8570209
Database identifiers
- PubChem CID
- 18929947
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
2 records
Compound notes
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