2-Bromooxane

CAT: 0926-GAA66726-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-GAA66726-02Size:0.5 g

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CAS Number

6667-26-1

MDL Number

MFCD12400947

Smiles

C1CCOC (C1) Br

Molecular Formula

C5H9BrO

Molecular Weight

165.03 g/mol

Controlled

Chemical Information

2-Bromooxane

CAS Number	6667-26-1
PubChem CID	13070295
IUPAC Name	2-bromooxane
Molecular Formula	C5H9BrO
Molecular Weight	165.03
XLogP	1.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	56

SMILES

C1CCOC(C1)Br

InChI

InChI=1S/C5H9BrO/c6-5-3-1-2-4-7-5/h5H,1-4H2

InChIKey

WSVBQUZNVUWORE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6667-26-1

CID: 13070295

Formula: C5H9BrO

MW: 165.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.03
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	163.98368
Monoisotopic Mass	163.98368
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	56
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
DXC60006-01	4-Bromooxane-4-carboxylic acid
SXB06713-01	Methyl 4-bromooxane-4-carboxylate
FCA97469-01	3-Bromooxan-2-one
DAA37786-01	2-Bromohexane (contains 3-Bromohexane) (stabilized with Copper chip)
JBD33725-01	3- (4-Bromooxan-2-yl) pyridine
AAA99906-01	4-Bromooctane
SMB14428-01	4-Bromooxepane
DEC77756-01	Ethyl 3-bromooxetane-3-carboxylate
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate

Catalog	Name
B2430-01	4-Bromooxane
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