2-Bromo-1,1-Diethoxypropane

CAT: 0127-OR1024688-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

3400-55-3

Synonyms

2-bromo-1,1-diethoxypropane

Purity

98%

Smiles

CCOC(C(C)Br)OCC

Chemical Information

2-Bromo-1,1-diethoxypropane

CAS Number	3400-55-3
PubChem CID	103001
IUPAC Name	2-bromo-1,1-diethoxypropane
Molecular Formula	C7H15BrO2
Molecular Weight	211.10
XLogP	2
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	72

SMILES

CCOC(C(C)Br)OCC

InChI

InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3

InChIKey

AHIUAFXWZKCJLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3400-55-3

CID: 103001

Formula: C7H15BrO2

MW: 211.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.10
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	210.02554
Monoisotopic Mass	210.02554
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	72
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
OR1020904	1,2-Diethoxypropane
OR930301	2,2-Diethoxypropane
OR1020911-01	1,3-Diethoxypropane
OR1010948-01	3-Chloro-1,1-Diethoxypropane
OR1030604-01	1-Amino-3,3-Diethoxypropane
OR470048-01	Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
PC1353	1-Bromo-2- (2-bromo-1-chlorotrifluoroethyl) cyclohexane
PC1007514-01	1-Bromo-4- (2-bromo-1,1,2,2-tetrafluoro-ethoxy) benzene
OR1003355-01	1-Bromo-1,2,2-trichloroethane
PC8764-01	1-Bromo-1,1,2,2-tetrafluorobutane

Catalog	Name
424092-01	3-Bromo-1,1-diethoxypropane
TYD-02654-01	1,1-Diethoxypropane
HY-W199117S	1,1-Diethoxypropane-d10
D19460	2,2-Diethoxypropane
sc-280214	1-Amino-3,3-diethoxypropane
FC03587-01	3-Chloro-1,1-diethoxypropane - Stabilized with CaCO3
sc-485080	Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
BCA10030-01	2-Bromo-1- (2-bromo-1,1-difluoroethoxy) -1,1-difluoroethane
sc-266270	2''-Bromo-[1,1';2',1'']terphenyl
sc-356247A	1-Bromo-1,1,2,2-tetrafluorooctane