4'-Chlorochalcone

C₁₅H₁₁ClOCAS 956-02-5242.70 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ketone

Properties

Molecular formula: C₁₅H₁₁ClO
Molar mass: 242.70 g/mol
Exact mass: 242.0498 Da
logP: 4.24Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

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

956-02-5

SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl

InChIKey

HIINIOLNGCQCSM-IZZDOVSWSA-N

InChI

InChI=1S/C15H11ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+

Weigh it out

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

Work with 4'-Chlorochalcone

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

4,4'-Dichlorochalcone19672-59-483 % similar trans-Chalcone614-47-172 % similar Chalcone94-41-772 % similar 4′-Hydroxychalcone2657-25-265 % similar 4'-Fluorochalcone399-10-065 % similar 4′-Methoxychalcone959-23-959 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-356 % similar 4-Fluorochalcone1608-51-156 % similar

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

Same formula

4-Chlorochalcone956-04-7

Elsewhere

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