Basic information
- CAS
133270-12-9- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ccc(Br)cn1- InChIKey
JYGAAUVTAKSTIU-UHFFFAOYSA-N- Molecular formula
- C12H5BrClF3N4O4
- Average molar mass
- 441.54 g/mol
- Monoisotopic mass
- 439.91348
Names & identifiers
- Preferred name
- 5-Bromo-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)pyridin-2-amine
- IUPAC
- 5-bromo-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]pyridin-2-amine
Names & synonyms
5-Bromo-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)pyridin-2-amine5-bromo-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]pyridin-2-amine133270-12-9DTXSID80158038
Database identifiers
- CAS
133270-12-9- PubChem CID
- 183136
- DTXSID
DTXSID80158038- Nikkaji
- J397.133C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…