Diethyl 2,5-dibromobenzene-1,4-dicarboxylate

C₁₂H₁₂Br₂O₄CAS 18013-97-3380.03 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₂H₁₂Br₂O₄
Molar mass: 380.03 g/mol
Exact mass: 377.9102 Da
logP: 3.57Crippen 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

18013-97-3

SMILES

CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Br

InChIKey

WXRSDHICEYICMV-UHFFFAOYSA-N

InChI

InChI=1S/C12H12Br2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3

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Names and synonyms

1 names

2,5-Dibromoterephthalic acid diethyl ester

Work with Diethyl 2,5-dibromobenzene-1,4-dicarboxylate

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

Ethyl 2-bromobenzoate6091-64-169 % similar 4-Bromo-3-thiophenecarboxylic acid ethyl ester224449-33-665 % similar Ethyl 3-bromopyridine-4-carboxylate13959-01-859 % similar Diethyl phthalate84-66-258 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-258 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-457 % similar Ethyl2-bromothiophene-3-carboxylate632325-50-956 % similar Ethyl 4-bromo-3-methylbenzoate160313-69-955 % similar

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

Elsewhere

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