1-Chloro-2-octyne

CAT: 0024-sc-224603Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224603Size:10 g

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CAS Number

51575-83-8

Chemical Information

1-Chloro-2-octyne

CAS Number	51575-83-8
PubChem CID	4349444
IUPAC Name	1-chlorooct-2-yne
Molecular Formula	C8H13Cl
Molecular Weight	144.64
XLogP	3.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	104

SMILES

CCCCCC#CCCl

InChI

InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3

InChIKey

OUMUOQQKEAGFCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51575-83-8

CID: 4349444

Formula: C8H13Cl

MW: 144.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.64
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	144.0705781
Monoisotopic Mass	144.0705781
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104
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-282048A	1-Bromo-2-octyne
sc-282048C	1-Bromo-2-octyne
sc-230614	2-Octyne
sc-282048	1-Bromo-2-octyne
sc-282048B	1-Bromo-2-octyne
sc-282048D	1-Bromo-2-octyne
sc-237607	1-Octyne
sc-232935	4-Octyne
sc-266813	3-Octyne
sc-273272	1-Chloro-1,2,2-trifluorocyclobutane