Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090076
Common Name2,2-dibromoacetic acid
Systematic Name2,2-dibromoethanoic acid
Synonyms-
Exact Mass
215.8422 (neutral)    Calculate m/z:
FormulaC2H2Br2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
PubChem CID12433
InChIKeySIEILFNCEFEENQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
SMILESC(C(Br)Br)(=O)O
StatusActive
ReferencesNatural halogenated fatty acids: their analogues and derivatives
Valery M Dembitsky and Morris Srebnik
Progress in Lipid Research,41(4), 315-367 (2002)
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
96.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.47Molar
Refractivity
29.79