chempirical

2,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4SCAS 63624-28-2236.67 g/mol

Open in Covalent MOL file
OSOOClO
Ether

Properties

Molecular formula
C8H9ClO4S
Molar mass
236.67 g/mol
Exact mass
235.9910 Da
Melting point
67–69 °C
logP
1.63Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
63624-28-2
SMILES
COc1ccc(S(=O)(=O)Cl)c(OC)c1
InChIKey
AYGZKRRIULCJKC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO4S/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3

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Names and synonyms

3 names
  • Benzenesulfonyl chloride, 2,4-dimethoxy-
  • 2,4-Dimethoxyphenylsulfonyl chloride
  • 2,4-Dimethoxybenzene-1-sulfonyl chloride

Work with 2,4-Dimethoxybenzenesulfonyl 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

2-Methoxybenzenesulfonyl chloride10130-87-762 % similar 2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-259 % similar 4-Methoxybenzenesulfonyl chloride98-68-056 % similar 3-Methoxybenzenesulfonyl chloride10130-74-254 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 2,5-Dimethoxybenzenesulfonamide19116-90-649 % similar 2,4-Dimethoxyaniline2735-04-846 % similar 2,4-Dimethoxybenzaldehyde613-45-645 % similar

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

Same formula

2,5-Dimethoxybenzenesulfonyl chloride1483-28-9 3,4-Dimethoxybenzenesulfonyl chloride23095-31-0

Elsewhere

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