Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090004
Common Name9-bromo-decanoic acid
Systematic Name9-bromo-decanoic acid
Synonyms-
Exact Mass
250.0568 (neutral)    Calculate m/z:
FormulaC10H19BrO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
LIPIDAT ID2379
PubChem CID4684996
InChIKeyNALSZVIUTARYSI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H19BrO2/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
SMILESC(CCCCCCCC(Br)C)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
215.78Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.87Molar
Refractivity
58.86