4-(2-Oxopropyl)benzene-1-sulfonyl chloride
Basic information
- CAS
89313-31-5- Standard SMILES
CC(=O)Cc1ccc(S(=O)(=O)Cl)cc1- InChIKey
IORUQWMUNZWJRG-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3S
- Average molar mass
- 232.68 g/mol
- Monoisotopic mass
- 231.996093
Names & identifiers
- Preferred name
- 4-(2-Oxopropyl)benzene-1-sulfonyl chloride
- IUPAC
- 4-(2-oxopropyl)benzenesulfonyl chloride
Names & synonyms
89313-31-54-(2-Oxopropyl)benzene-1-sulfonyl chlorideSCHEMBL2083561DTXSID90717352AKOS0063368984-(2-Oxopropyl)benzene-1-sulfonylchloride
Database identifiers
- CAS
89313-31-5- PubChem CID
- 55280792
- DTXSID
DTXSID90717352
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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