Basic information
- Standard SMILES
COC1=C(N)C(Cl)=NCN1c1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]- InChIKey
AVOVOBWTPUXLAR-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2F3N5O5
- Average molar mass
- 430.12 g/mol
Names & identifiers
- Preferred name
- N-(3'-Chloro-2',6'-dinitro-4'-trifluoromethylphenyl)-5-amino-4-chloro-6-methoxypyrimidine
- IUPAC
- 4-chloro-1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-methoxy-2H-pyrimidin-5-amine
Names & synonyms
N-(3'-Chloro-2',6'-dinitro-4'-trifluoromethylphenyl)-5-amino-4-chloro-6-methoxypyrimidine
Database identifiers
- PubChem CID
- 86743151
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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