Basic information
- CAS
133229-99-9- Standard SMILES
O=[N+]([O-])c1cccnc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]- InChIKey
FAFLYBYJXPSUDU-UHFFFAOYSA-N- Molecular formula
- C12H5ClF3N5O6
- Average molar mass
- 407.64 g/mol
- Monoisotopic mass
- 406.9880451
Names & identifiers
- Preferred name
- 2-Pyridinamine, N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3-nitro-
- IUPAC
- N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
Names & synonyms
2-Pyridinamine, N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3-nitro-133229-99-9N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3-nitropyridin-2-amineN-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3-nitropyridin-2-amineDTXSID20158012
Database identifiers
- CAS
133229-99-9- PubChem CID
- 183124
- DTXSID
DTXSID20158012- Nikkaji
- J397.150C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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