3-Chloro-N-(3-chloro-4-methylsulfonyl-2,6-dinitrophenyl)-5-(trifluoromethyl)pyridin-2-amine
Basic information
- CAS
133230-03-2- Standard SMILES
CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl- InChIKey
JWYJVZWICQYOBC-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2F3N4O6S
- Average molar mass
- 475.2 g/mol
- Monoisotopic mass
- 473.941545
Names & identifiers
- Preferred name
- 3-Chloro-N-(3-chloro-4-methylsulfonyl-2,6-dinitrophenyl)-5-(trifluoromethyl)pyridin-2-amine
- IUPAC
- 3-chloro-N-(3-chloro-4-methylsulfonyl-2,6-dinitrophenyl)-5-(trifluoromethyl)pyridin-2-amine
Names & synonyms
3-Chloro-N-(3-chloro-4-methylsulfonyl-2,6-dinitrophenyl)-5-(trifluoromethyl)pyridin-2-amine133230-03-2CHEMBL2268593DTXSID201580173-Chloro-N-[3-chloro-4-(methanesulfonyl)-2,6-dinitrophenyl]-5-(trifluoromethyl)pyridin-2-amine
Database identifiers
- CAS
133230-03-2- PubChem CID
- 183128
- DTXSID
DTXSID20158017- ChEMBL
CHEMBL2268593- Nikkaji
- J397.157K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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