Bromoacetaldehyde diethyl acetal

CAT: 0127-OR28607-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR28607-01Size:100 g

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CAS Number

2032-35-1

Synonyms

2-Bromo-1,1-diethoxyethane

MDL Number

MFCD00000214

Purity

97%

Smiles

CCOC(CBr)OCC

Storage Conditions

Store at 2-8°C

Chemical Information

Ethane, 2-bromo-1,1-diethoxy-

CAS Number	2032-35-1
PubChem CID	74852
IUPAC Name	2-bromo-1,1-diethoxyethane
Molecular Formula	C6H13BrO2
Molecular Weight	197.07
XLogP	1.6
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	53

SMILES

CCOC(CBr)OCC

InChI

InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3

InChIKey

LILXDMFJXYAKMK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2032-35-1

CID: 74852

Formula: C6H13BrO2

MW: 197.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.07
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	196.00989
Monoisotopic Mass	196.00989
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	53
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

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Catalog	Name
FB19177-01	Bromoacetaldehyde diethyl acetal
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B18240-01	Bromoacetaldehyde dimethyl acetal
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36953-01	Bromoacetaldehyde Dimethyl Acetal pure (Stabilized), 97%
463062-01	Propionaldehyde Diethyl Acetal
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