Basic information
- Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1Cl- InChIKey
NRLKUVSXDJLDRJ-UHFFFAOYSA-N- Molecular formula
- C22H13Cl3F4N4O
- Average molar mass
- 531.7 g/mol
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxymethyl)phenyl]-1-methyl-1H-1,2,4-triazole
- IUPAC
- 3-chloro-2-[[3-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methoxy]-5-(trifluoromethyl)pyridine
Names & synonyms
3-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxymethyl)phenyl]-1-methyl-1H-1,2,4-triazoleSCHEMBL83016283-(2-chloro-6-fluorophenyl)-5-[2-chloro-4(3-chloro-5-trifluoromethylpyridine-2-yloxymethyl)phenyl]1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463680
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 681
Related reactions
3 records
Compound notes
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