1-Bromo-2-octyne

CAT: 0024-sc-282048Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-282048Size:1 g

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CAS Number

18495-27-7

Chemical Information

1-Bromo-2-octyne

CAS Number	18495-27-7
PubChem CID	2757087
IUPAC Name	1-bromooct-2-yne
Molecular Formula	C8H13Br
Molecular Weight	189.09
XLogP	3.7
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#CCBr

InChI

InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3

InChIKey

QKPBYOBXEXNWOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18495-27-7

CID: 2757087

Formula: C8H13Br

MW: 189.09

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	189.09
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	188.02006
Monoisotopic Mass	188.02006
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-224603	1-Chloro-2-octyne
sc-230614	2-Octyne
sc-237607	1-Octyne
sc-232935	4-Octyne
sc-266813	3-Octyne
sc-306961	2-Bromo-1- (3-bromo-2-thienyl) -1-ethanone
sc-306961A	2-Bromo-1- (3-bromo-2-thienyl) -1-ethanone
sc-254913	8-Bromo-1-octene
sc-321564	2-Bromo-1- (5-bromo-2-methoxyphenyl) ethanone
sc-321564A	2-Bromo-1- (5-bromo-2-methoxyphenyl) ethanone