CAS 19117-92-1 | Hexadecanoic acid, 2-chloro- | CAS Number 19117-92-1

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19117-92-1 | Hexadecanoic acid, 2-chloro-

CAS No: 19117-92-1 Catalog No: AG002F3G MDL No:

Product Description

Catalog Number:

AG002F3G

Chemical Name:

Hexadecanoic acid, 2-chloro-

CAS Number:

19117-92-1

Molecular Formula:

C16H31ClO2

Molecular Weight:

290.8691

IUPAC Name:

2-chlorohexadecanoic acid

InChI:

InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)

InChI Key:

LDQUHRSWFMWRNG-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCC(C(=O)O)Cl

Properties

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.201g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.872g/mol

Monoisotopic Mass:

290.201g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.7

Literature

Title	Journal
The role of fatty aldehyde dehydrogenase in epidermal structure and function.	Dermato-endocrinology 20110101
{Omega}-oxidation of {alpha}-chlorinated fatty acids: identification of {alpha}-chlorinated dicarboxylic acids.	The Journal of biological chemistry 20101231
Chlorinated lipid species in activated human neutrophils: lipid metabolites of 2-chlorohexadecanal.	Journal of lipid research 20100501
2-Chlorohexadecanal and 2-chlorohexadecanoic acid induce COX-2 expression in human coronary artery endothelial cells.	Lipids 20080701