Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090005
Common Name11-bromo-undecanoic acid
Systematic Name11-bromo-undecanoic acid
Synonyms-
Exact Mass
264.0725 (neutral)    Calculate m/z:
FormulaC11H21BrO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
LIPIDAT ID2428
PubChem CID17812
InChIKeyIUDGNRWYNOEIKF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
SMILESC(CCCCCCCCCCBr)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
233.08Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.26Molar
Refractivity
63.47