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2-Bromo-1,1-dimethoxyethane

CAT: 0572-TRC-B997703-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B997703-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7252-83-7
Synonyms
1,1-Dimethoxy-2-bromoethane; 1-Bromo-2,2-dimethoxyethane; 2,2-Dimethoxy-1-bromoethane; 2,2-Dimethoxybromoethane; 2,2-Dimethoxyethyl Bromide; 2-Bromoacetaldehyde Dimethyl Acetal; Bromoacetaldehyde Dimethyl Acetal; Bromoacetoaldehyde Dimethyl Acetal; NSC 73700
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
COC(CBr)OC
Molecular Formula
C4H9BrO2
Molecular Weight
169.02
Shipping Conditions
Room Temperature

Chemical Information

2-Bromo-1,1-dimethoxyethane
CAS Number7252-83-7
PubChem CID81672
IUPAC Name2-bromo-1,1-dimethoxyethane
Molecular FormulaC4H9BrO2
Molecular Weight169.02
XLogP0.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity36
SMILES
COC(CBr)OC
InChI
InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
InChIKey
FUSFWUFSEJXMRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-1,1-dimethoxyethane
CAS: 7252-83-7
CID: 81672
Formula: C4H9BrO2
MW: 169.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.02
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass167.97859
Monoisotopic Mass167.97859
Topological Polar Surface Area18.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity36.7
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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OR1002569-012-Bromo-1,1-dimethoxyethane
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