Basic information
- Standard SMILES
Cl.Nc1ccc(C(F)(F)F)cc1C(=O)O- InChIKey
NLIIFRUGCQADQL-UHFFFAOYSA-N- Molecular formula
- C8H7ClF3NO2
- Average molar mass
- 241.59 g/mol
- Monoisotopic mass
- 241.0117406
Names & identifiers
- Preferred name
- 2-Amino-5-(trifluoromethyl)benzoic acid hydrochloride
- IUPAC
- 2-amino-5-(trifluoromethyl)benzoic acid;hydrochloride
Names & synonyms
2-Amino-5-(trifluoromethyl)benzoic acid hydrochloride845797-42-42-amino-5-(trifluoromethyl)benzoic acid;hydrochlorideSCHEMBL28758615ULA67409SB811072-Amino-5-(trifluoromethyl)benzoicacidhydrochloride2-amino-5-(trifluoromethyl)benzoic acid, hydrochloride
Database identifiers
- PubChem CID
- 73554994
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
6 records
Compound notes
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