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2- (2-Bromoethoxy) propane

CAT: 0127-OR965620-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR965620-01Size:100 mg
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CAS Number
54149-16-5
MDL Number
MFCD07700570
Purity
97%
Smiles
CC(C)OCCBr

Chemical Information

2-(2-Bromoethoxy)propane
CAS Number54149-16-5
PubChem CID3830823
IUPAC Name2-(2-bromoethoxy)propane
Molecular FormulaC5H11BrO
Molecular Weight167.04
XLogP1.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity37
SMILES
CC(C)OCCBr
InChI
InChI=1S/C5H11BrO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKey
KYKUZTBLYLKPIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromoethoxy)propane
CAS: 54149-16-5
CID: 3830823
Formula: C5H11BrO
MW: 167.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.04
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass165.99933
Monoisotopic Mass165.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.1
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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