Basic information
- Standard SMILES
CC(C)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
ZKVPUWNTECRZSQ-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2S
- Average molar mass
- 218.7 g/mol
- Monoisotopic mass
- 218.0168285
Names & identifiers
- Preferred name
- p-Chlorophenyl isopropyl sulfone
- IUPAC
- 1-chloro-4-propan-2-ylsulfonylbenzene
Names & synonyms
7205-83-6p-Chlorophenyl isopropyl sulfone1-Chloro-4-(isopropylsulfonyl)benzene1-chloro-4-(propane-2-sulfonyl)benzene1-chloro-4-propan-2-ylsulfonylbenzeneMFCD02328553Benzene, 1-chloro-4-[(1-methylethyl)sulfonyl]-Enamine_005812p-ChlorophenylisopropylsulfoneSCHEMBL217301SCHEMBL217302ZKVPUWNTECRZSQ-UHFFFAOYSA-N
Show more names
HMS1410I04HAA205831-chloro-4-isopropylsulfonyl-benzeneAKOS001025554IDI1_008047SY077029EN300-95344E86467
Database identifiers
- PubChem CID
- 703486
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
2 records
Compound notes
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