Basic information
- Standard SMILES
Clc1ccc(C(Cn2cncn2)OCc2ccccc2Cl)c(Cl)c1- InChIKey
ASERYULEDMCDLQ-UHFFFAOYSA-N- Molecular formula
- C17H14Cl3N3O
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 381.020245
Names & identifiers
- Preferred name
- 1-{2-[(2-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-1,2,4-triazole
- IUPAC
- 1-[2-[(2-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazole
Names & synonyms
SCHEMBL10470261ASERYULEDMCDLQ-UHFFFAOYSA-NAA-504/319920061-{2-[(2-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-1,2,4-triazole2-chlorobenzyl 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl ether
Database identifiers
- PubChem CID
- 13655431
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Compound notes
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