3- (2-Bromoethoxy) prop-1-yne

CAT: 0127-OR1033819-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033819-01Size:100 mg

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CAS Number

18668-74-1

Purity

98%

Smiles

C#CCOCCBr

Chemical Information

3-(2-Bromoethoxy)prop-1-yne

CAS Number	18668-74-1
PubChem CID	287925
IUPAC Name	3-(2-bromoethoxy)prop-1-yne
Molecular Formula	C5H7BrO
Molecular Weight	163.01
XLogP	1
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	71

SMILES

C#CCOCCBr

InChI

InChI=1S/C5H7BrO/c1-2-4-7-5-3-6/h1H,3-5H2

InChIKey

DHPKZCYUYUEPSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18668-74-1

CID: 287925

Formula: C5H7BrO

MW: 163.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.01
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	161.96803
Monoisotopic Mass	161.96803
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	71.4
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
OR91507-01	3- (2-Iodoethoxy) prop-1-yne
OR4851	Prop-1-yne
OR82515-01	3- (2-methoxyethoxy) prop-1-yne
OR1037929-01	3- (2,2-Diethoxyethoxy) prop-1-yne
OR1065140-01	3- (2- (2-Iodoethoxy) ethoxy) prop-1-yne
OR1072741-01	Prop-2-yne-1-sulfonyl chloride
OR79848-01	Sodium prop-2-yne-1-sulfonate
OR97002-01	Sodium prop-2-yne-1-sulfonate
OR1031264-01	3- (3- (Prop-2-yn-1-yloxy) -2,2-bis ((prop-2-yn-1-yloxy) methyl) propoxy) prop-1-yne
PC1002160-01	1- (2-Bromoethoxy) -3-fluorobenzene

Catalog	Name
QAA42404-01	3- (2-bromoethoxy) prop-1-ene
TRC-B870025-100MG	3-(2-Bromoethoxy)prop-1-ene
HY-W251756-01	3- (2-Iodoethoxy) prop-1-yne
YDA16629-01	3- (2,2-Diethoxyethoxy) prop-1-yne
TRC-B593400-500MG	3-(2,2-Diethoxyethoxy)prop-1-yne
TRC-T212131-250MG	3-(2,2,2-Trifluoroethoxy)prop-1-yne
THC98007-01	3- (2-Aminoethanesulfonyl) prop-1-yne hydrochloride
C55289-1G	3-[2- (2-methoxyethoxy) ethoxy]prop-1-yne
abx187840-01	3-(2-[2-(Prop-2-yn-1-yloxy)ethoxy]ethoxy)prop-1-yne
TRC-B526770-1G	[4-(Prop-2-yne-1-sulfonyl)phenyl]methanol