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1- (allyloxy) -2-bromobenzene

CAT: 0127-OR1099782Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
60333-75-7
Smiles
C1 (Br) c (OCC=C) cccc1

Chemical Information

1-(Allyloxy)-2-bromobenzene
CAS Number60333-75-7
PubChem CID91351
IUPAC Name1-bromo-2-prop-2-enoxybenzene
Molecular FormulaC9H9BrO
Molecular Weight213.07
XLogP3.1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
C=CCOC1=CC=CC=C1Br
InChI
InChI=1S/C9H9BrO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2
InChIKey
PXOIJEJWBLMJHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Allyloxy)-2-bromobenzene
CAS: 60333-75-7
CID: 91351
Formula: C9H9BrO
MW: 213.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.07
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass211.98368
Monoisotopic Mass211.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
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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