Structure database (LMSD)

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LM IDLMFA01090074
Common Name2-bromoacetic acid
Systematic Name2-bromoethanoic acid
Synonyms-
Exact Mass
137.9316 (neutral)    Calculate m/z:
FormulaC2H3BrO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
PubChem CID6227
InChIKeyKDPAWGWELVVRCH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
SMILESC(CBr)(=O)O
MS Spectra-     
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 Atoms5Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
77.38Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP0.75Molar
Refractivity
21.92