chempirical

Bromochloroacetic acid

C2H2BrClO2CAS 5589-96-8173.39 g/mol

Open in Covalent MOL file
OHOClBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2H2BrClO2
Molar mass
173.39 g/mol
Exact mass
171.8927 Da
Melting point
31.5 °C
Boiling point
215 °C
logP
1.03Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
5589-96-8
SMILES
O=C(O)C(Cl)Br
InChIKey
GEHJBWKLJVFKPS-UHFFFAOYSA-N
InChI
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)

Weigh it out

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

Names and synonyms

5 names
  • Acetic acid, 2-bromo-2-chloro-
  • Acetic acid, bromochloro-
  • 2-Bromo-2-chloroacetic acid
  • Chlorobromoacetic acid
  • BCAA

Work with Bromochloroacetic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rel-(2R,3S)-2,3-dibromobutanedioic acid608-36-650 % similar 2,3-Dibromopropionic acid600-05-546 % similar 2-Bromobutyric acid80-58-044 % similar (2S)-2-Bromopropanoic acid32644-15-844 % similar 2-Bromopropionic acid598-72-144 % similar 2-Chloropropionic acid598-78-744 % similar 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-443 % similar Bromosuccinic acid584-98-543 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook