Completing data — usually done within a minute
Basic information
- CAS
882036-83-1- Standard SMILES
COc1cc(C(=O)Cl)cc2c1OC(C)(C)O2- InChIKey
YEKRKLXZRJJLNC-UHFFFAOYSA-N- Molecular formula
- C11H11ClO4
- Average molar mass
- 242.65 g/mol
- Monoisotopic mass
- 242.03458651
Names & identifiers
- Preferred name
- 7-Methoxy-2,2-dimethyl-2H-1,3-benzodioxole-5-carbonyl chloride
- IUPAC
- 7-methoxy-2,2-dimethyl-1,3-benzodioxole-5-carbonyl chloride
Names & synonyms
882036-83-17-Methoxy-2,2-dimethyl-2H-1,3-benzodioxole-5-carbonyl chlorideSCHEMBL4753914DTXSID40829772YEKRKLXZRJJLNC-UHFFFAOYSA-N7-methoxy-2,2-dimethyl-1,3-benzodioxole-5-carbonyl chlorideDB-1865587-methoxy-2,2-dimethyl-benzo[1,3]dioxole-5-carbonyl chloride
Database identifiers
- CAS
882036-83-1- PubChem CID
- 71410077
- DTXSID
DTXSID40829772
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
11 records
Compound notes
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