Basic information
- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Cl)cc1Cl- InChIKey
FJHMXGWJATXNEG-UHFFFAOYSA-N- Molecular formula
- C12H4Cl3F3N4O4
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 429.925022
Names & identifiers
- Preferred name
- N-(3,5-dichloro-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline
- IUPAC
- 3,5-dichloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]pyridin-2-amine
Names & synonyms
N-(3,5-dichloro-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylanilineCHEMBL2268634SCHEMBL11087128
Database identifiers
- PubChem CID
- 12812469
- ChEMBL
CHEMBL2268634
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Related reactions
1 records
Compound notes
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