Basic information
- CAS
6309-47-3- Standard SMILES
CC(=O)OC(OC(C)=O)c1cc2c(cc1Cl)OCO2- InChIKey
NJAFSDMVPZVCFJ-UHFFFAOYSA-N- Molecular formula
- C12H11ClO6
- Average molar mass
- 286.66 g/mol
- Monoisotopic mass
- 286.0244158
Names & identifiers
- Preferred name
- [Acetyloxy-(6-chloro-1,3-benzodioxol-5-yl)methyl] acetate
- IUPAC
- [acetyloxy-(6-chloro-1,3-benzodioxol-5-yl)methyl] acetate
Names & synonyms
6309-47-3NSC42566DTXSID80979043NSC-42566(6-Chloro-2H-1,3-benzodioxol-5-yl)methylene diacetate
Database identifiers
- CAS
6309-47-3- PubChem CID
- 238263
- DTXSID
DTXSID80979043
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…