chempirical

3-Bromo-2,5-furandione

C4HBrO3CAS 5926-51-2176.95 g/mol

Open in Covalent MOL file
OBrOO
Acid anhydrideAlkeneVinyl halide

Properties

Molecular formula
C4HBrO3
Molar mass
176.95 g/mol
Exact mass
175.9109 Da
Density
1.9642 g/mL (at 15.8 °C)
Boiling point
150–152 °C (at 42 Torr)
logP
0.35Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
5926-51-2
SMILES
O=C1C=C(Br)C(=O)O1
InChIKey
YPRMWCKXOZFJGF-UHFFFAOYSA-N
InChI
InChI=1S/C4HBrO3/c5-2-1-3(6)8-4(2)7/h1H

Weigh it out

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Names and synonyms

5 names
  • NSC 96611
  • 2,5-Furandione, 3-bromo-
  • Maleic anhydride, bromo-
  • Bromomaleic anhydride
  • 3-Bromo-2,5-dihydrofuran-2,5-dione

Work with 3-Bromo-2,5-furandione

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

Aconitic anhydride6318-55-444 % similar Phenylmaleic anhydride36122-35-739 % similar Maleic anhydride108-31-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook