6-Chloro-3-formyl-7-methylchromone

C11H7ClO3CAS 64481-12-5222.62 g/mol

Open in Covalent MOL file
ClOOO
AldehydeAryl halide

Properties

Molecular formula
C11H7ClO3
Molar mass
222.62 g/mol
Exact mass
222.0084 Da
logP
2.57Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
64481-12-5
SMILES
CC1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=O
InChIKey
NULJNFUEBPQUNB-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClO3/c1-6-2-10-8(3-9(6)12)11(14)7(4-13)5-15-10/h2-5H,1H3

Weigh it out

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

Work with 6-Chloro-3-formyl-7-methylchromone

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-methylchromone42059-81-457 % similar 6-Chloro-3-formylchromone42248-31-757 % similar 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde62484-76-852 % similar 6,8-Dichlorochromone-3-carboxaldehyde64481-10-352 % similar 6-Ethyl-3-formylchromone42059-78-950 % similar 3-Formyl-6-isopropylchromone49619-58-150 % similar 6-Bromo-3-formylchromone52817-12-650 % similar 6-Fluoro-3-formylchromone69155-76-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(2-Chlorophenyl)-2-furoic acid41019-43-6 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-7 5-(4-Chlorophenyl)-2-furoic acid41019-45-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook