2,4-Dinitro-4'-(trifluoromethyl)diphenylamine
Basic information
- CAS
13744-79-1- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1- InChIKey
UJICBPURUGWMIX-UHFFFAOYSA-N- Molecular formula
- C13H8F3N3O4
- Average molar mass
- 327.21 g/mol
- Monoisotopic mass
- 327.04669023
Names & identifiers
- Preferred name
- 2,4-Dinitro-4'-(trifluoromethyl)diphenylamine
- IUPAC
- 2,4-dinitro-N-[4-(trifluoromethyl)phenyl]aniline
Names & synonyms
2,4-DINITRO-4'-(TRIFLUOROMETHYL)DIPHENYLAMINE13744-79-12,4-dinitro-N-[4-(trifluoromethyl)phenyl]anilineDTXSID10160184AKOS002844281
Database identifiers
- CAS
13744-79-1- PubChem CID
- 26249
- DTXSID
DTXSID10160184- Nikkaji
- J1.556.864J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…