Basic information
- CAS
68930-14-3- Standard SMILES
CC1(C)OCC(C2OC(On3nnc4ccc(Cl)cc43)C3OC(C)(C)OC23)O1- InChIKey
OWFNLJGMWFESNL-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O6
- Average molar mass
- 411.8 g/mol
- Monoisotopic mass
- 411.1197131
Names & identifiers
- Preferred name
- 6-Chloro-1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]oxy]benzotriazole
- IUPAC
- 6-chloro-1-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]benzotriazole
Names & synonyms
NSC31911268930-14-3NSC-319112CHEMBL1976150SCHEMBL15599147DTXSID703176126-chloro-1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]oxy]benzotriazoleNCI60_0027476-Chloro-1-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]oxy}-1H-1,2,3-benzotriazole
Database identifiers
- CAS
68930-14-3- PubChem CID
- 330482
- DTXSID
DTXSID70317612- ChEMBL
CHEMBL1976150
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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