6-Chlorochromone

C₉H₅ClO₂CAS 33533-99-2180.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅ClO₂
Molar mass: 180.59 g/mol
Exact mass: 179.9978 Da
logP: 2.45Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

33533-99-2

SMILES

C1=CC2=C(C=C1Cl)C(=O)C=CO2

InChIKey

VFZQATFTQAZCMO-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H

Weigh it out

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

Work with 6-Chlorochromone

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

6-Bromochromone51483-92-259 % similar Chromone491-38-353 % similar 6-Chloro-7-methylchromone67029-84-953 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-148 % similar 6-Chloro-3-formylchromone42248-31-746 % similar 6-Chloro-4-oxo-4H-1-benzopyran-3-carbonitrile50743-20-945 % similar 6-Chloro-4-hydroxycoumarin19484-57-243 % similar 7-Chloro-4-hydroxyquinoline86-99-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Benzofurancarbonyl chloride41717-28-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook