Basic information
- Standard SMILES
COc1ccc(Cn2nnc3c(O)c(Cl)ccc32)cc1- InChIKey
SXFVUIOOIMARQO-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O2
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0618043
Names & identifiers
- Preferred name
- 5-Chloro-1-(4-methoxybenzyl)-1H-1,2,3-benzotriazol-4-ol
- IUPAC
- 5-chloro-1-[(4-methoxyphenyl)methyl]benzotriazol-4-ol
Names & synonyms
SCHEMBL2883133SXFVUIOOIMARQO-UHFFFAOYSA-N5-Chloro-1-(4-methoxybenzyl)-1H-1,2,3-benzotriazol-4-ol
Database identifiers
- PubChem CID
- 136133273
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
4 records
Compound notes
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