4-Methoxyphenylmagnesium bromide solution

CAT: 0024-sc-226725Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-226725Size:100 mL

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CAS Number

13139-86-1

Chemical Information

4-Methoxyphenylmagnesium bromide

CAS Number	13139-86-1
PubChem CID	2734898
IUPAC Name	magnesium;methoxybenzene;bromide
Molecular Formula	C7H7BrMgO
Molecular Weight	211.34
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	145

SMILES

COC1=CC=[C-]C=C1.[Mg+2].[Br-]

InChI

InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1

InChIKey

RBWRWAUAVRMBAC-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 13139-86-1

CID: 2734898

Formula: C7H7BrMgO

MW: 211.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.34
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	209.95307
Monoisotopic Mass	209.95307
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
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sc-226497	4-Benzyloxyphenylmagnesium bromide solution
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