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4-Methoxy-2-methylphenylmagnesium bromide solution

CAT: 0024-sc-232813Size: 50 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-232813Size:50 mL
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CAS Number
148706-30-3

Chemical Information

Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CAS Number148706-30-3
PubChem CID10933159
IUPAC Namemagnesium;1-methoxy-3-methylbenzene-4-ide;bromide
Molecular FormulaC8H9BrMgO
Molecular Weight225.37
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity194
SMILES
CC1=[C-]C=CC(=C1)OC.[Mg+2].[Br-]
InChI
InChI=1S/C8H9O.BrH.Mg/c1-7-4-3-5-8(6-7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKey
RXSNLPFCJCJYQB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CAS: 148706-30-3
CID: 10933159
Formula: C8H9BrMgO
MW: 225.37
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight225.37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass223.96872
Monoisotopic Mass223.96872
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity194
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