3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-hydroxymethylphenyl) 1-methyl-1H-1,2,4-triazole

HCID 21463618

Basic information

Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(CO)cc1Cl
InChIKey
MPFBUPDDILEDGK-UHFFFAOYSA-N
Molecular formula
C16H12Cl2FN3O
Average molar mass
352.2 g/mol

Names & identifiers

Preferred name
3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-hydroxymethylphenyl) 1-methyl-1H-1,2,4-triazole
IUPAC
[3-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol

Names & synonyms

SCHEMBL8300288MPFBUPDDILEDGK-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-hydroxymethylphenyl) 1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

Database identifiers

PubChem CID
21463618

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

Related reactions

3 records

Compound notes

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