6-Chloro-3-formylchromone

C₁₀H₅ClO₃CAS 42248-31-7208.60 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₀H₅ClO₃
Molar mass: 208.60 g/mol
Exact mass: 207.9927 Da
logP: 2.26Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

42248-31-7

SMILES

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

InChIKey

LIGLNCRTMDRUAO-UHFFFAOYSA-N

InChI

InChI=1S/C10H5ClO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H

Weigh it out

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

Work with 6-Chloro-3-formylchromone

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

3-Formyl-6-methylchromone42059-81-465 % similar 6-Bromo-3-formylchromone52817-12-665 % similar 6-Fluoro-3-formylchromone69155-76-665 % similar 3-Formylchromone17422-74-161 % similar 6-Ethyl-3-formylchromone42059-78-960 % similar 3-Formyl-6-isopropylchromone49619-58-160 % similar 6,8-Dichloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde64481-10-360 % similar 6-Chloro-3-formyl-7-methylchromone64481-12-557 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook