2-[2-(1,3-Dioxolan-2-yl)ethyl]benzotriazole
Basic information
- CAS
198784-27-9- Standard SMILES
c1ccc2nn(CCC3OCCO3)nc2c1- InChIKey
FHCQLSAEGIBEER-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 2-[2-(1,3-Dioxolan-2-yl)ethyl]benzotriazole
- IUPAC
- 2-[2-(1,3-dioxolan-2-yl)ethyl]benzotriazole
Names & synonyms
198784-27-9SCHEMBL7212005DTXSID9012440962-[2-(1,3-dioxolan-2-yl)ethyl]-2H-benzotriazole
Database identifiers
- CAS
198784-27-9- PubChem CID
- 3614435
- DTXSID
DTXSID901244096
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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