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4-Ethylphenylmagnesium bromide solution

CAT: 0024-sc-232662Size: 50 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-232662Size:50 mL
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CAS Number
22873-28-5

Chemical Information

4-Ethylphenylmagnesium bromide
CAS Number22873-28-5
PubChem CID11241259
IUPAC Namemagnesium;ethylbenzene;bromide
Molecular FormulaC8H9BrMg
Molecular Weight209.37
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity140
SMILES
CCC1=CC=[C-]C=C1.[Mg+2].[Br-]
InChI
InChI=1S/C8H9.BrH.Mg/c1-2-8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKey
QSGSHZBZGXYVOQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 4-Ethylphenylmagnesium bromide
CAS: 22873-28-5
CID: 11241259
Formula: C8H9BrMg
MW: 209.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass207.97380
Monoisotopic Mass207.97380
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes