1-[(4-Chlorophenyl)sulfonyl]-2-propanone

C₉H₉ClO₃SCAS 5000-48-6232.68 g/mol

Open in Covalent MOL file

Halogen Ketone Sulfone

Properties

Molecular formula: C₉H₉ClO₃S
Molar mass: 232.68 g/mol
Exact mass: 231.9961 Da
Melting point: 83 °C
logP: 1.70Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

5000-48-6

SMILES

CC(=O)CS(=O)(=O)c1ccc(Cl)cc1

InChIKey

BRDBHPZILGTBFY-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2-Propanone, 1-[(4-chlorophenyl)sulfonyl]-
2-Propanone, 1-[(p-chlorophenyl)sulfonyl]-
(p-Chlorophenylsulfonyl)acetone
1-(4-Chlorophenylsulfonyl)propan-2-one
1-(4-Chlorobenzenesulfonyl)propan-2-one
1-[(4-Chlorophenyl)sulfonyl]acetone

Work with 1-[(4-Chlorophenyl)sulfonyl]-2-propanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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