1-Propoxybenzotriazole
Basic information
- CAS
60454-98-0- Standard SMILES
CCCOn1nnc2ccccc21- InChIKey
YREQXCNLELHOPG-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.09021198
Names & identifiers
- Preferred name
- 1-Propoxybenzotriazole
- IUPAC
- 1-propoxybenzotriazole
Names & synonyms
60454-98-01-propoxybenzotriazoleNSC286127SCHEMBL9483441DTXSID903145671-Propoxy-1H-1,2,3-benzotriazoleNSC-286127
Database identifiers
- CAS
60454-98-0- PubChem CID
- 323670
- DTXSID
DTXSID90314567
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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