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1-Bromo-2,2-dimethoxypropane

CAT: 0127-OR315506-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR315506-01Size:5 g
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CAS Number
126-38-5
MDL Number
MFCD00000208
Purity
98%
Smiles
COC(C)(CBr)OC

Chemical Information

1-Bromo-2,2-dimethoxypropane
CAS Number126-38-5
PubChem CID67175
IUPAC Name1-bromo-2,2-dimethoxypropane
Molecular FormulaC5H11BrO2
Molecular Weight183.04
XLogP1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity61
SMILES
CC(CBr)(OC)OC
InChI
InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey
SGTITUFGCGGICE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2,2-dimethoxypropane
CAS: 126-38-5
CID: 67175
Formula: C5H11BrO2
MW: 183.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.04
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass181.99424
Monoisotopic Mass181.99424
Topological Polar Surface Area18.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity61.4
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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