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1-Bromo-2-ethoxybenzene

CAT: 0024-sc-258674Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-258674Size:5 g
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CAS Number
583-19-7

Chemical Information

2-Bromophenetole
CAS Number583-19-7
PubChem CID68500
IUPAC Name1-bromo-2-ethoxybenzene
Molecular FormulaC8H9BrO
Molecular Weight201.06
XLogP3.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity95
SMILES
CCOC1=CC=CC=C1Br
InChI
InChI=1S/C8H9BrO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKey
JVEQWIQHHWNMQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromophenetole
CAS: 583-19-7
CID: 68500
Formula: C8H9BrO
MW: 201.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.06
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass199.98368
Monoisotopic Mass199.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity95.3
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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Alternative Products

CatalogName
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OR10967531-Bromo-4-chloro-2-ethoxybenzene
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