chempirical

4-Ethoxy-benzenesulfonyl chloride

C8H9ClO3SCAS 1132-17-8220.67 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C8H9ClO3S
Molar mass
220.67 g/mol
Exact mass
219.9961 Da
logP
2.01Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1132-17-8
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)Cl
InChIKey
XIWSSFMVSKKXRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3

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Names and synonyms

1 names
  • 4-Ethoxybenzene-1-sulfonyl chloride

Work with 4-Ethoxy-benzenesulfonyl 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

4-Butoxybenzenesulfonyl chloride1138-56-371 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-160 % similar 4-Methoxybenzenesulfonyl chloride98-68-059 % similar 1,4-Diethoxybenzene122-95-256 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-650 % similar 1-Chloro-4-ethoxybenzene622-61-750 % similar 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-250 % similar 4-Toluenesulfonyl chloride98-59-950 % similar

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

Elsewhere

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