chempirical

Bromosuccinic acid

C4H5BrO4CAS 923-06-8196.98 g/mol

Open in Covalent MOL file
OHOBrOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H5BrO4
Molar mass
196.98 g/mol
Exact mass
195.9371 Da
Melting point
161 °C
logP
0.31Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

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
923-06-8
SMILES
O=C(O)CC(Br)C(=O)O
InChIKey
QQWGVQWAEANRTK-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Butanedioic acid, 2-bromo-
  • Monobromosuccinic acid
  • 2-Bromosuccinic acid
  • Succinic acid, bromo-, (±)-
  • DL-Bromosuccinic acid
  • NSC 227872
  • Succinic acid, bromo-
  • Butanedioic acid, bromo-
  • 2-Bromobutanedioic acid

Work with Bromosuccinic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bromosuccinic acid584-98-5

Similar compounds

1,2,3,4-Butanetetracarboxylic acid1703-58-858 % similar Propane-1,2,3-tricarboxylic acid99-14-958 % similar 2,3-Dibromopropionic acid600-05-556 % similar (R)-2-Bromobutanoic acid2681-94-954 % similar Malic acid617-48-154 % similar D-Malic acid636-61-354 % similar Malic acid6915-15-754 % similar 2-Bromobutyric acid80-58-054 % similar

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

Elsewhere

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