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3- (2-bromoethoxy) prop-1-ene

CAT: 0926-QAA42404-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA42404-01Size:100 mg
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CAS Number
15424-04-1
MDL Number
MFCD06411029
Smiles
C=CCOCCBr
Molecular Formula
C5H9OBr
Molecular Weight
165.02 g/mol
Controlled
No

Chemical Information

3-(2-Bromoethoxy)prop-1-ene
CAS Number15424-04-1
PubChem CID4065630
IUPAC Name3-(2-bromoethoxy)prop-1-ene
Molecular FormulaC5H9BrO
Molecular Weight165.03
XLogP1.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity45
SMILES
C=CCOCCBr
InChI
InChI=1S/C5H9BrO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKey
RVQSWGCPAYJSNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Bromoethoxy)prop-1-ene
CAS: 15424-04-1
CID: 4065630
Formula: C5H9BrO
MW: 165.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.03
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass163.98368
Monoisotopic Mass163.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity45.3
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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