6-Chloro-4-hydroxycoumarin

C₉H₅ClO₃CAS 19484-57-2196.59 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₉H₅ClO₃
Molar mass: 196.59 g/mol
Exact mass: 195.9927 Da
logP: 2.15Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19484-57-2

SMILES

C1=CC2=C(C=C1Cl)C(=CC(=O)O2)O

InChIKey

HUMZENGQNOATEQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H

Weigh it out

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

Work with 6-Chloro-4-hydroxycoumarin

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-Hydroxy-6-methylcoumarin13252-83-062 % similar 6-Bromo-4-hydroxycoumarin4139-61-162 % similar 4-Hydroxycoumarin1076-38-660 % similar 5,7-Dihydroxycoumarin2732-18-545 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-144 % similar 6-Hydroxy-4-methylcoumarin2373-31-143 % similar 6-Chlorochromone33533-99-243 % similar 4-Methylesculetin529-84-041 % similar

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

Same formula

5-Chloro-2-benzofurancarboxylic acid10242-10-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook