Basic information
- Standard SMILES
Clc1ccc(C2(C3(n4cnc(Cl)n4)CC3)CO2)cc1- InChIKey
UKTUNYWYCRIPOI-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2N3O
- Average molar mass
- 296.15 g/mol
- Monoisotopic mass
- 295.0279174
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-[1-(3-chloro-1,2,4-triazol-1-yl)-cyclopropyl]oxirane
- IUPAC
- 3-chloro-1-[1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropyl]-1,2,4-triazole
Names & synonyms
SCHEMBL9374011UKTUNYWYCRIPOI-UHFFFAOYSA-N2-(4-chlorophenyl)-2-[1-(3-chloro-1,2,4-triazol-1-yl)-cyclopropyl]-oxirane2-(4-Chlorophenyl)-2-[1-(3-chloro-1,2,4-triazol-1-yl)-cyclopropyl]oxirane
Database identifiers
- PubChem CID
- 14697229
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
9 records
Compound notes
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