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3-Bromo-1,1-diethoxypropane

CAT: 0572-TRC-B694615-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694615-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59067-07-1
Synonyms
3-Bromo-1,1-diethoxypropane (ACI); Propionaldehyde, 3-bromo-, diethyl acetal (6CI); 3-Bromopropanal diethyl acetal; 3-Bromopropionaldehyde diethyl acetal
Hazard Statement
No Data Available
Smiles
BrCCC(OCC)OCC
Molecular Formula
C7H15BrO2
Molecular Weight
211.1
InChI
InChI=1S/C7H15BrO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3
Additionnal Information
IUPAC name: 3-bromo-1,1-diethoxypropane
Shipping Conditions
Room Temperature

Chemical Information

2-(Bromomethyl)-3,3-diethoxypropanal
CAS Number59067-07-1
PubChem CID70700528
IUPAC Name2-(bromomethyl)-3,3-diethoxypropanal
Molecular FormulaC8H15BrO3
Molecular Weight239.11
XLogP1.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity113
SMILES
CCOC(C(CBr)C=O)OCC
InChI
InChI=1S/C8H15BrO3/c1-3-11-8(12-4-2)7(5-9)6-10/h6-8H,3-5H2,1-2H3
InChIKey
SKCXVXRCRRNZPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Bromomethyl)-3,3-diethoxypropanal
CAS: 59067-07-1
CID: 70700528
Formula: C8H15BrO3
MW: 239.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.11
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass238.02046
Monoisotopic Mass238.02046
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity113
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
424092-013-Bromo-1,1-diethoxypropane
OR1024688-012-Bromo-1,1-Diethoxypropane
OR1020911-011,3-Diethoxypropane
TYD-02654-011,1-Diethoxypropane
OR1010948-013-Chloro-1,1-Diethoxypropane
OR1030604-011-Amino-3,3-Diethoxypropane
OR10209041,2-Diethoxypropane
OR470048-01Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
HY-W199117S1,1-Diethoxypropane-d10
FC03587-013-Chloro-1,1-diethoxypropane - Stabilized with CaCO3

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