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1,3-Dibromo-2,2-dimethoxypropane

CAT: 0931-TYD-00925Size: 50 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00925Size:50 g
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CAS Number
22094-18-4
Bioactivity
1,3-Dibromo-2,2-dimethoxypropane is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
C(C(CBr)(OC)OC)Br
Molecular Formula
C5H10Br2O2
Molecular Weight
261.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Dibromo-2,2-dimethoxypropane
CAS Number22094-18-4
PubChem CID2734196
IUPAC Name1,3-dibromo-2,2-dimethoxypropane
Molecular FormulaC5H10Br2O2
Molecular Weight261.94
XLogP1.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity67
SMILES
COC(CBr)(CBr)OC
InChI
InChI=1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChIKey
CPAHOXOBYHMHDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dibromo-2,2-dimethoxypropane
CAS: 22094-18-4
CID: 2734196
Formula: C5H10Br2O2
MW: 261.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.94
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass261.90271
Monoisotopic Mass259.90475
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity67.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-W005012-011,3-Dibromo-2,2-dimethoxypropane
HAA77885-011,2-Dimethoxypropane
BGD58711-012,3-Dimethoxypropane-1-sulfonamide
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OR939103-011,3-Dichloro-2,2-dimethoxypropane
AZC96317-011,3-Dimethoxypropane-2-sulfonamide
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