3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl) 1-methyl-1H-1,2,4-triazole
Basic information
- Standard SMILES
CCCCCCc1ccc(F)c(-c2nc(-c3c(F)cccc3Cl)nn2C)c1- InChIKey
VXKMBNXGQDWSKP-UHFFFAOYSA-N- Molecular formula
- C21H22ClF2N3
- Average molar mass
- 389.9 g/mol
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl) 1-methyl-1H-1,2,4-triazole
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8877431VXKMBNXGQDWSKP-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl) 1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463601
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
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Related reactions
2 records
Compound notes
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