Basic information
- CAS
73554-30-0- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(O)cc1- InChIKey
YTAPFCPYBCQLEM-UHFFFAOYSA-N- Molecular formula
- C13H9F3N2O3
- Average molar mass
- 298.22 g/mol
- Monoisotopic mass
- 298.05652681
Names & identifiers
- Preferred name
- Phenol, 4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-
- IUPAC
- 4-[2-nitro-4-(trifluoromethyl)anilino]phenol
Names & synonyms
Phenol, 4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-4-[2-nitro-4-(trifluoromethyl)anilino]phenol73554-30-0SCHEMBL10880474DTXSID60406408AKOS0002865394-(2-nitro-4-trifluoromethylanilino) phenol4-(2-nitro-4-trifluoromethylphenylamino)phenol4-(2-nitro-4-trifluoromethylphenylamino) phenol
Database identifiers
- CAS
73554-30-0- PubChem CID
- 4771887
- DTXSID
DTXSID60406408
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
6 records
Compound notes
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