1-Chlorohexadecane

CAT: 0127-OR1009441-01Size: 100 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1009441-01Size:100 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4860-03-1

MDL Number

MFCD00000959

Purity

97%

Smiles

CCCCCCCCCCCCCCCCCl

Chemical Information

1-Chlorohexadecane

CAS Number	4860-03-1
PubChem CID	20993
IUPAC Name	1-chlorohexadecane
Molecular Formula	C16H33Cl
Molecular Weight	260.9
XLogP	9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Heavy Atom Count	17
Formal Charge	0
Complexity	123

SMILES

CCCCCCCCCCCCCCCCCl

InChI

InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

CLWAXFZCVYJLLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4860-03-1

CID: 20993

Formula: C16H33Cl

MW: 260.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.9
XLogP3	9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Exact Mass	260.2270787
Monoisotopic Mass	260.2270787
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	123
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
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane