Benzenamine, 3-chloro-3,6-dinitro-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-
Basic information
- CAS
70756-90-0- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c([N+](=O)[O-])cc1Nc1c(Cl)cc(Cl)c(Cl)c1Cl- InChIKey
RJBLFLBAGITIDG-UHFFFAOYSA-N- Molecular formula
- C13H4Cl4F3N3O4
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 462.890801
Names & identifiers
- Preferred name
- Benzenamine, 3-chloro-3,6-dinitro-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-
- IUPAC
- 2,3,4,6-tetrachloro-N-[2,5-dinitro-4-(trifluoromethyl)phenyl]aniline
Names & synonyms
Benzenamine, 3-chloro-3,6-dinitro-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-70756-90-0DTXSID002210162,3,4,6-tetrachloro-N-[2,5-dinitro-4-(trifluoromethyl)phenyl]aniline
Database identifiers
- CAS
70756-90-0- PubChem CID
- 3036754
- DTXSID
DTXSID00221016
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 576
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Compound notes
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