chempirical

4-Acetylbenzenesulfonyl chloride

C8H7ClO3SCAS 1788-10-9218.65 g/mol

Open in Covalent MOL file
OSOOCl
Ketone

Properties

Molecular formula
C8H7ClO3S
Molar mass
218.65 g/mol
Exact mass
217.9804 Da
Melting point
87–89 °C
logP
1.82Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1788-10-9
SMILES
CC(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIKey
FXVDNCRTKXMSEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenesulfonyl chloride, 4-acetyl-
  • Benzenesulfonyl chloride, p-acetyl-
  • 4-Acetylphenylsulfonyl chloride
  • p-Acetylbenzenesulfonyl chloride
  • NSC 104128
  • 4-Acetylbenzene-1-sulfonyl chloride
  • 4-Acetylbenzensulfonyl chloride

Work with 4-Acetylbenzenesulfonyl chloride

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

Similar compounds

1-[4-(Methylsulfonyl)phenyl]ethanone10297-73-159 % similar 1,4-Diacetylbenzene1009-61-658 % similar 4-(Chlorosulfonyl)benzoic acid10130-89-958 % similar 4-Acetylbenzenesulfonamide1565-17-958 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-652 % similar 4-Toluenesulfonyl chloride98-59-952 % similar P-Chloroacetophenone99-91-252 % similar 1-[4-(Dimethylamino)phenyl]ethanone2124-31-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dihydrobenzofuran-5-sulfonyl Chloride115010-11-2

Elsewhere

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