Coumarin-6-sulfonyl chloride

C₉H₅ClO₄SCAS 10543-42-7244.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅ClO₄S
Molar mass: 244.64 g/mol
Exact mass: 243.9597 Da
logP: 1.72Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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-Chloronaphthalene-2-sulfonyl chloride102153-63-950 % similar 6-Hydroxycoumarin6093-68-150 % similar 6-Methylcoumarin92-48-850 % similar 6-Formaldehydecoumarin51690-26-748 % similar 6-Aminocoumarin hydrochloride63989-79-746 % similar Dibenzofuran-3-sulfonyl chloride42138-14-745 % similar Coumarin91-64-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook