magnesium;1-methanidyl-2-methylbenzene;bromide

C8H9BrMg — CID 11367801

IUPACmagnesium;1-methanidyl-2-methylbenzene;bromide
SMILES[Br-].[CH2-]c1ccccc1C.[Mg+2]
InChIInChI=1S/C8H9.BrH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyJSVBYPAVUWZQHA-UHFFFAOYSA-M
MW209.37 g/mol
LogP-1.20
Rot. Bonds

About magnesium;1-methanidyl-2-methylbenzene;bromide

magnesium;1-methanidyl-2-methylbenzene;bromide (PubChem CID 11367801) has the molecular formula C8H9BrMg and a molecular weight of 209.37 g/mol. Its IUPAC name is magnesium;1-methanidyl-2-methylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-methanidyl-2-methylbenzene;bromide
PubChem CID11367801
Molecular FormulaC8H9BrMg
Molecular Weight209.37 g/mol
Exact Mass207.97
IUPAC Namemagnesium;1-methanidyl-2-methylbenzene;bromide
SMILES[Br-].[CH2-]c1ccccc1C.[Mg+2]
InChIInChI=1S/C8H9.BrH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyJSVBYPAVUWZQHA-UHFFFAOYSA-M
XLogP-1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.37
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-methanidyl-2-methylbenzene;bromide?
The IUPAC name of magnesium;1-methanidyl-2-methylbenzene;bromide (CID 11367801) is magnesium;1-methanidyl-2-methylbenzene;bromide.
What is the SMILES notation for magnesium;1-methanidyl-2-methylbenzene;bromide?
The canonical SMILES for magnesium;1-methanidyl-2-methylbenzene;bromide is [Br-].[CH2-]c1ccccc1C.[Mg+2].
What is the InChIKey of magnesium;1-methanidyl-2-methylbenzene;bromide?
The InChIKey is JSVBYPAVUWZQHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.BrH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methanidyl-2-methylbenzene;bromide?
magnesium;1-methanidyl-2-methylbenzene;bromide has a molecular weight of 209.37 g/mol, XLogP of -1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methanidyl-2-methylbenzene;bromide is sourced from PubChem (CID 11367801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).