Basic information
- Standard SMILES
CC(=O)OCc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1Cl- InChIKey
QULAPGVXXDLWLV-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2FN3O2
- Average molar mass
- 394.2 g/mol
Names & identifiers
- Preferred name
- 5-(4-acetoxymethyl-3-chlorophenyl)-3-(2-chloro-6-fluorophenyl) 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]methyl acetate
Names & synonyms
SCHEMBL8304720QULAPGVXXDLWLV-UHFFFAOYSA-N5-(4-acetoxymethyl-3-chlorophenyl)-3(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole5-(4-acetoxymethyl-3-chlorophenyl)-3-(2-chloro-6-fluorophenyl) 1-methyl-1H-1,2,4-triazole5-(4-acetoxymethyl-3-chlorophenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463681
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
6 records
Compound notes
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