Basic information
- CAS
76874-95-8- Standard SMILES
O=C(O)c1cc(O)ccc1Nc1ccc(O)c(C(F)(F)F)c1- InChIKey
ZSUPWVOAEVDEBK-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO4
- Average molar mass
- 313.23 g/mol
- Monoisotopic mass
- 313.05619229
Names & identifiers
- Preferred name
- Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-
- IUPAC
- 5-hydroxy-2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoic acid
- English name
- Benzoic acid, 5-hydroxy-2-[[4-hydroxy-3-(trifluoromethyl)phenyl]amino]-
- Molecular formula
- C14H10F3NO4
- Molecular weight
- 313.23
Names & synonyms
76874-95-8BRN 5989546Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-DTXSID402276785-Hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)benzoic acid5-Hydroxy-N-(4-hydroxy-3-trifluoromethylphenyl)anthranilsaeure [German]5-Hydroxy-N-(4-hydroxy-3-trifluoromethylphenyl)anthranilsaeure5-Hydroxy-2-{[4-hydroxy-3-(trifluoromethyl)phenyl]amino}benzoic acidRefChem:327686DTXCID901501695-hydroxy-2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoic acidBenzoic acid, 5-hydroxy-2-[[4-hydroxy-3-(trifluoromethyl)phenyl]amino]-
Database identifiers
- CAS
76874-95-8- PubChem CID
- 3059618
- DTXSID
DTXSID40227678
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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