Structure database (LMSD)

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LM IDLMFA06000114
Common Name2-chloropalmitaldehyde
Systematic Name2-chlorohexadecanal
Synonyms-
Exact Mass
274.2063 (neutral)    Calculate m/z:
FormulaC16H31OCl
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
PubChem CID42607325
InChIKeyAUGQGGLBBDGNTG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15-16H,2-14H2,1H3
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SMILES
C(C(Cl)CCCCCCCCCCCCCC)(=O)[H]
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StatusActive
ReferencesChromatographic methods for the analyses of 2-halofatty aldehydes and chlorohydrin molecular species of lysophosphatidylcholine.
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
DOI: 10.1016/j.jchromb.2008.11.031
PMID: 19091635
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
306.72Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP6.17Molar
Refractivity
81.91