Basic information
- Standard SMILES
CC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
NMAWVAOKKSGWHX-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2N3O2
- Average molar mass
- 314.16 g/mol
Names & identifiers
- Preferred name
- 1-[[2-(2,4-Dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1h-1,2,4-triazole
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Names & synonyms
SCHEMBL76199401-[[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1h-1,2,4-triazole
Database identifiers
- PubChem CID
- 9879846
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
1 records
Compound notes
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