Basic information
- Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(CO)c(Cl)c1- InChIKey
DNHHAOWRKGCKBT-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2FN3O
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0341456
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole
- IUPAC
- [2-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol
Names & synonyms
SCHEMBL8298161DNHHAOWRKGCKBT-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-hydroxymethylphenyl) 1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463672
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
12 records
Compound notes
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