6-Chloro-3-formyl-7-methylchromone

C₁₁H₇ClO₃CAS 64481-12-5222.62 g/mol

Open in Covalent MOL file

Aldehyde Aryl 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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-Dichloro-4-oxo-4H-1-benzopyran-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

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