chempirical

Coumarin-6-sulfonyl chloride

C9H5ClO4SCAS 10543-42-7244.64 g/mol

Open in Covalent MOL file
OOSOOCl

Properties

Molecular formula
C9H5ClO4S
Molar mass
244.64 g/mol
Exact mass
243.9597 Da
logP
1.72Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
10543-42-7
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)Cl
InChIKey
HQIPMBGUDSOVEA-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H

Weigh it out

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

Work with Coumarin-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-Naphthalenesulfonyl chloride93-11-853 % similar 6-Chloro-2-naphthalenesulfonyl chloride102153-63-950 % similar 6-Methylcoumarin92-48-850 % similar Coumarin91-64-544 % similar 6-Nitrocoumarin2725-81-744 % similar Aesculetin305-01-144 % similar 1,3-Benzenedisulfonyl dichloride585-47-743 % similar Psoralen66-97-743 % similar

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

Elsewhere

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