4,4'-Dichlorochalcone

C₁₅H₁₀Cl₂OCAS 19672-59-4277.14 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ketone

Properties

Molecular formula: C₁₅H₁₀Cl₂O
Molar mass: 277.14 g/mol
Exact mass: 276.0109 Da
logP: 4.89Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

H413 May cause long lasting harmful effects to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

19672-59-4

SMILES

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

InChIKey

YMEMCRBNZSLQCQ-XCVCLJGOSA-N

InChI

InChI=1S/C15H10Cl2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+

Weigh it out

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Names and synonyms

1 names

4',4-Dichlorochalcone

Work with 4,4'-Dichlorochalcone

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-Chlorochalcone956-04-783 % similar (2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-661 % similar 4-Chlorocinnamic acid1615-02-759 % similar 4-Chlorocinnamamide18166-64-859 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-559 % similar trans-Chalcone614-47-157 % similar Chalcone94-41-757 % similar 4,4′-Dimethoxychalcone2373-89-956 % similar

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

Elsewhere

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