2,5-Dibromothiophene-3,4-dicarboxylic acid

C₆H₂Br₂O₄SCAS 190723-12-7329.95 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₂Br₂O₄S
Molar mass: 329.95 g/mol
Exact mass: 327.8041 Da
logP: 2.67Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

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

190723-12-7

SMILES

C1(=C(SC(=C1C(=O)O)Br)Br)C(=O)O

InChIKey

ZZYYIZHQMCEKLG-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2O4S/c7-3-1(5(9)10)2(6(11)12)4(8)13-3/h(H,9,10)(H,11,12)

Weigh it out

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Work with 2,5-Dibromothiophene-3,4-dicarboxylic acid

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

Tetrabromoterephthalic acid5411-70-154 % similar Tetrabromophthalic acid13810-83-852 % similar 4,5-Dibromo-2-thiophenecarboxylic acid6324-10-348 % similar 2,6-Dibromobenzoic acid601-84-346 % similar 2-Bromo-3-thiophenecarboxylic acid24287-95-445 % similar 2,4,6-Tribromobenzoic acid633-12-543 % similar Chlorthal2136-79-042 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-842 % similar

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

Elsewhere

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