Bis(2,4,6-trichlorophenyl) propanedioate

C₁₅H₆Cl₆O₄CAS 15781-70-1462.91 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₅H₆Cl₆O₄
Molar mass: 462.91 g/mol
Exact mass: 459.8397 Da
logP: 6.51Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

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

15781-70-1

SMILES

C1=C(C=C(C(=C1Cl)OC(=O)CC(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl

InChIKey

WYPCGKBOSFOHGU-UHFFFAOYSA-N

InChI

InChI=1S/C15H6Cl6O4/c16-6-1-8(18)14(9(19)2-6)24-12(22)5-13(23)25-15-10(20)3-7(17)4-11(15)21/h1-4H,5H2

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Names and synonyms

1 names

Malonic acid bis(2,4,6-trichlorophenyl) ester

Work with Bis(2,4,6-trichlorophenyl) propanedioate

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

TCPO1165-91-963 % similar 2,4,6-Trichlorophenyl formate4525-65-944 % similar 2,4,6-Trichloroanisole87-40-144 % similar Methyl 2,4-dichlorobenzeneacetate55954-23-941 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-241 % similar 2,4,6-Trichlorobenzoic acid50-43-140 % similar 2,4-D Methyl ester1928-38-740 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-338 % similar

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

Elsewhere

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