Basic information
- Standard SMILES
CC(=O)Cn1nnc2ccc(Cl)cc21- InChIKey
AZOYPONSOKELSQ-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0355896
Names & identifiers
- Preferred name
- 1-(6-Chlorobenzotriazol-1-yl)-propan-2-one
- IUPAC
- 1-(6-chlorobenzotriazol-1-yl)propan-2-one
Names & synonyms
1-(6-chloro-1h-benzotriazol-1-yl)-propan-2-oneSCHEMBL202954AZOYPONSOKELSQ-UHFFFAOYSA-N674342-53-1DB-3286261-(6-chlorobenzotriazol-1-yl)-propan-2-one
Database identifiers
- PubChem CID
- 22020252
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Related reactions
1 records
Compound notes
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