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929-16-8 | 2-Chloroethyl palmitate
CAS No: 929-16-8 Catalog No: AG0036R7 MDL No:
Product Description
Catalog Number:
AG0036R7
Chemical Name:
2-Chloroethyl palmitate
CAS Number:
929-16-8
Molecular Formula:
C18H35ClO2
Molecular Weight:
318.9223
IUPAC Name:
2-chloroethyl hexadecanoate
InChI:
InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h2-17H2,1H3
InChI Key:
CPFFARIYTPCNJA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCCCl
UNII:
24Z4GDF61O
NSC Number:
406555
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.233g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.926g/mol
Monoisotopic Mass:
318.233g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
Literature
| Title | Journal |
|---|---|
| Esters, retroesters, and a retroamide of palmitic acid: pool for the first selective inhibitors of N-palmitoylethanolamine-selective acid amidase. | Journal of medicinal chemistry 20031009 |
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