magnesium;2-methanidyl-1,4-dimethylbenzene;chloride

C9H11ClMg — CID 12860825

IUPACmagnesium;2-methanidyl-1,4-dimethylbenzene;chloride
SMILES[CH2-]c1cc(C)ccc1C.[Cl-].[Mg+2]
InChIInChI=1S/C9H11.ClH.Mg/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyTYGAVDNGMAAZPK-UHFFFAOYSA-M
MW178.94 g/mol
LogP-0.89
Rot. Bonds

About magnesium;2-methanidyl-1,4-dimethylbenzene;chloride

magnesium;2-methanidyl-1,4-dimethylbenzene;chloride (PubChem CID 12860825) has the molecular formula C9H11ClMg and a molecular weight of 178.94 g/mol. Its IUPAC name is magnesium;2-methanidyl-1,4-dimethylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;2-methanidyl-1,4-dimethylbenzene;chloride
PubChem CID12860825
Molecular FormulaC9H11ClMg
Molecular Weight178.94 g/mol
Exact Mass178.04
IUPAC Namemagnesium;2-methanidyl-1,4-dimethylbenzene;chloride
SMILES[CH2-]c1cc(C)ccc1C.[Cl-].[Mg+2]
InChIInChI=1S/C9H11.ClH.Mg/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyTYGAVDNGMAAZPK-UHFFFAOYSA-M
XLogP-0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.94
LogP ≤ 5-0.89
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;2-methanidyl-1,4-dimethylbenzene;chloride?
The IUPAC name of magnesium;2-methanidyl-1,4-dimethylbenzene;chloride (CID 12860825) is magnesium;2-methanidyl-1,4-dimethylbenzene;chloride.
What is the SMILES notation for magnesium;2-methanidyl-1,4-dimethylbenzene;chloride?
The canonical SMILES for magnesium;2-methanidyl-1,4-dimethylbenzene;chloride is [CH2-]c1cc(C)ccc1C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methanidyl-1,4-dimethylbenzene;chloride?
The InChIKey is TYGAVDNGMAAZPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11.ClH.Mg/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methanidyl-1,4-dimethylbenzene;chloride?
magnesium;2-methanidyl-1,4-dimethylbenzene;chloride has a molecular weight of 178.94 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methanidyl-1,4-dimethylbenzene;chloride is sourced from PubChem (CID 12860825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).