chempirical

2,3-Dihydro-1,4-benzodioxine-6-sulfonyl chloride

C8H7ClO4SCAS 63758-12-3234.65 g/mol

Open in Covalent MOL file
OOSOOCl
Ether

Properties

Molecular formula
C8H7ClO4S
Molar mass
234.65 g/mol
Exact mass
233.9754 Da
logP
1.39Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
63758-12-3
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)Cl
InChIKey
JWHSRWUHRLYAPM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2

Weigh it out

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

Work with 2,3-Dihydro-1,4-benzodioxine-6-sulfonyl 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

2,3-Dihydrobenzofuran-5-sulfonyl Chloride115010-11-268 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-059 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-850 % similar 1,3-Benzenedisulfonyl dichloride585-47-748 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-747 % similar 3,4-Difluorobenzenesulfonyl chloride145758-05-046 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-846 % similar 2-Naphthalenesulfonyl chloride93-11-846 % similar

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

Same formula

Methyl o-(chlorosulfonyl)benzoate26638-43-7 2-(4-Chlorobenzenesulfonyl)acetic acid3405-89-8 2-Chloro-4-(methylsulfonyl)benzoic acid53250-83-2 Methyl benzoate-3-sulfonyl chloride63555-50-0

Elsewhere

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