Structure database (LMSD)

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LM IDLMFA01090003
Common Name2-bromo-decanoic acid
Systematic Name2-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 ID2378
PubChem CID98310
CHEBI ID72820
InChIKeyKNLOTZNPRIFUAR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
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SMILES
C(C(Br)CCCCCCCC)(=O)O
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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