Cetyl chloroformate

CAT: 0024-sc-234306Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234306Size:5 g

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CAS Number

26272-90-2

Chemical Information

Cetyl chloroformate

CAS Number	26272-90-2
PubChem CID	97633
IUPAC Name	hexadecyl carbonochloridate
Molecular Formula	C17H33ClO2
Molecular Weight	304.9
XLogP	8.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	20
Formal Charge	0
Complexity	207

SMILES

CCCCCCCCCCCCCCCCOC(=O)Cl

InChI

InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3

InChIKey

HOQUWXSARQBQCW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26272-90-2

CID: 97633

Formula: C17H33ClO2

MW: 304.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.9
XLogP3	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	304.2169080
Monoisotopic Mass	304.2169080
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-504771	Cetyl Stearate
sc-236162	Neopentyl chloroformate
sc-235311	Hexyl chloroformate
sc-236245	Octyl chloroformate
sc-227625	Chloromethyl chloroformate
sc-472715	Phenoxyethyl chloroformate
sc-239543	Cholesteryl chloroformate
sc-263980	Pentafluorobenzyl chloroformate
sc-486461	Heptyl Chloroformate
sc-250692	Phenyl chloroformate