Basic information
- Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1cccc([N+](=O)[O-])c1Cl- InChIKey
GKXFHNILZKVTTJ-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2FN4O2
- Average molar mass
- 367.2 g/mol
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-5-(2-chloro-3-nitrophenyl) 1-methyl-1H-1,2,4-triazole
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-5-(2-chloro-3-nitrophenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8874526GKXFHNILZKVTTJ-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(2-chloro-3-nitrophenyl) 1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(2-chloro-3-nitrophenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463684
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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