N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine

HCID 9720

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Basic information

CAS: 369-90-4
Standard SMILES: O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIKey: UDHNPQBBLGONPJ-UHFFFAOYSA-N
Molecular formula: C13H9F3N2O2
Average molar mass: 282.22 g/mol
Monoisotopic mass: 282.06161202

Names & identifiers

Preferred name: N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine
IUPAC: N-(4-nitrophenyl)-3-(trifluoromethyl)aniline

Names & synonyms

N-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL)BENZENAMINE369-90-4CHEMBL3288970N-(4-nitrophenyl)-3-(trifluoromethyl)anilineSCHEMBL7043192DTXSID80958095UDHNPQBBLGONPJ-UHFFFAOYSA-NBDBM50017714AKOS015997102

Database identifiers

CAS: 369-90-4
PubChem CID: 9720
DTXSID: DTXSID80958095
ChEMBL: CHEMBL3288970
Nikkaji: J1.482.155D

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 335

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