3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-methoxyphenyl)-1-methyl-1H-1,2,4-triazole
Basic information
- Standard SMILES
COc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1Cl- InChIKey
XCLIPFCOINVSTR-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2FN3O
- Average molar mass
- 352.2 g/mol
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-methoxyphenyl)-1-methyl-1H-1,2,4-triazole
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8304172XCLIPFCOINVSTR-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-methoxyphenyl)-1-methyl 1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-methoxyphenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463682
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
3 records
Compound notes
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