Basic information
- Standard SMILES
CN(C)S(=O)(=O)c1cc2c(c(C(=O)Cl)c1)OCCO2- InChIKey
XOPARDXSIMENIK-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO5S
- Average molar mass
- 305.74 g/mol
- Monoisotopic mass
- 305.0124714
Names & identifiers
- Preferred name
- 7-Dimethylsulfamoyl-1,4-benzodioxane-5-carbonyl chloride
- IUPAC
- 7-(dimethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carbonyl chloride
Names & synonyms
7-dimethylsulfamoyl-1,4-benzodioxane-5-carbonyl chlorideSCHEMBL11257978XOPARDXSIMENIK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20544705
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Related reactions
7 records
Compound notes
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