3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
Basic information
- CAS
39053-10-6- Standard SMILES
O=C(O)c1cccc([N+](=O)[O-])c1Nc1cccc(C(F)(F)F)c1- InChIKey
FLBDNTHUPPBERA-UHFFFAOYSA-N- Molecular formula
- C14H9F3N2O4
- Average molar mass
- 326.23 g/mol
- Monoisotopic mass
- 326.05144126
Names & identifiers
- Preferred name
- 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
- IUPAC
- 3-nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
- English name
- Benzoic acid, 3-nitro-2-[[3-(trifluoromethyl)phenyl]amino]-
- Molecular formula
- C14H9F3N2O4
- Molecular weight
- 326.23
Names & synonyms
39053-10-63-nitro-2-[3-(trifluoromethyl)anilino]benzoic acidNSC2020193-Nitro-2-{[3-(trifluoromethyl)phenyl]amino}benzoic acidDTXSID30308086NSC-202019Benzoic acid, 3-nitro-2-[[3-(trifluoromethyl)phenyl]amino]-
Database identifiers
- CAS
39053-10-6- PubChem CID
- 305259
- DTXSID
DTXSID30308086
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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