Hexyl chloroformate

CAT: 0024-sc-235311Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235311Size:5 g

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CAS Number

6092-54-2

Chemical Information

Hexyl chloroformate

used as an indicator

CAS Number	6092-54-2
PubChem CID	22466
IUPAC Name	hexyl carbonochloridate
Molecular Formula	C7H13ClO2
Molecular Weight	164.63
XLogP	3.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	93

SMILES

CCCCCCOC(=O)Cl

InChI

InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3

InChIKey

KIWBRXCOTCXSSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6092-54-2

CID: 22466

Formula: C7H13ClO2

MW: 164.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.63
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	164.0604073
Monoisotopic Mass	164.0604073
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	93.6
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-489487	Hexyl-d13 Chloroformate
sc-236162	Neopentyl chloroformate
sc-236245	Octyl chloroformate
sc-227625	Chloromethyl chloroformate
sc-472715	Phenoxyethyl chloroformate
sc-239543	Cholesteryl chloroformate
sc-263980	Pentafluorobenzyl chloroformate
sc-234306	Cetyl chloroformate
sc-250692	Phenyl chloroformate
sc-486461	Heptyl Chloroformate