Basic information
- Standard SMILES
CCS(=O)(=O)c1cc2c(c(C(=O)Cl)c1)OCCO2- InChIKey
AJEDNQSLTXJFJG-UHFFFAOYSA-N- Molecular formula
- C11H11ClO5S
- Average molar mass
- 290.72 g/mol
Names & identifiers
- Preferred name
- 7-Ethylsulfonyl-1,4-benzodioxane-5-carbonyl chloride
- IUPAC
- 7-ethylsulfonyl-2,3-dihydro-1,4-benzodioxine-5-carbonyl chloride
Names & synonyms
SCHEMBL11265601AJEDNQSLTXJFJG-UHFFFAOYSA-N7-ethylsulfonyl-1,4-benzodioxane-5-carbonyl chloride
Database identifiers
- PubChem CID
- 20544728
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
Related reactions
26 records
Compound notes
Loading…