chempirical

Tribromoacetic acid

C2HBr3O2CAS 75-96-7296.74 g/mol

Open in Covalent MOL file
OHOBrBrBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2HBr3O2
Molar mass
296.74 g/mol
Exact mass
293.7527 Da
Melting point
132 °C
logP
1.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
75-96-7
SMILES
O=C(O)C(Br)(Br)Br
InChIKey
QIONYIKHPASLHO-UHFFFAOYSA-N
InChI
InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)

Weigh it out

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

Names and synonyms

4 names
  • Acetic acid, 2,2,2-tribromo-
  • Acetic acid, tribromo-
  • 2,2,2-Tribromoacetic acid
  • NSC 171102

Work with Tribromoacetic 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

Bromoisobutyric acid2052-01-950 % similar 2-Bromo-2,2-difluoroacetic acid354-08-550 % similar 1,3,5,7-Adamantanetetracarboxylic acid100884-80-843 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-843 % similar 2,2,2-Triiodoacetic acid594-68-343 % similar Dimethylmalonic acid595-46-043 % similar 1,1-Cyclopropanedicarboxylic acid598-10-743 % similar Pivalic acid75-98-943 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia