Basic information
- Standard SMILES
Clc1ccc(OCn2nnc3ccccc32)c(C2CO2)c1- InChIKey
PSRYJHVGSJVVDF-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O2
- Average molar mass
- 301.73 g/mol
- Monoisotopic mass
- 301.0618043
Names & identifiers
- Preferred name
- 1-(4-Chloro-2-oxiranyl-phenoxymethyl)-1H-benzotriazole
- IUPAC
- 1-[[4-chloro-2-(oxiran-2-yl)phenoxy]methyl]benzotriazole
Names & synonyms
SCHEMBL915304PSRYJHVGSJVVDF-UHFFFAOYSA-N1-(4-Chloro-2-oxiranyl-phenoxymethyl)-1H-benzotriazole
Database identifiers
- PubChem CID
- 3757832
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
5 records
Compound notes
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