1,2-Bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] ethanedioate

C₂₆H₂₄Cl₆O₈CAS 75203-51-9677.17 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₂₆H₂₄Cl₆O₈
Molar mass: 677.17 g/mol
Exact mass: 673.9602 Da
logP: 8.81Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 12

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

75203-51-9

SMILES

CCCCCOC(=O)c1c(Cl)cc(Cl)c(Cl)c1OC(=O)C(=O)Oc1c(Cl)c(Cl)cc(Cl)c1C(=O)OCCCCC

InChIKey

PURKHUDOTFUVNG-UHFFFAOYSA-N

InChI

InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-13(27)11-15(29)19(31)21(17)39-25(35)26(36)40-22-18(14(28)12-16(30)20(22)32)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3

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Names and synonyms

2 names

Ethanedioic acid, 1,2-bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] ester
Ethanedioic acid, bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] ester

Work with 1,2-Bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] ethanedioate

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

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

Elsewhere

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