magnesium;carbanide;phenylazanide;chloride

C7H9ClMgN- — CID 21475452

IUPACmagnesium;carbanide;phenylazanide;chloride
SMILES[CH3-].[Cl-].[Mg+2].[NH-]c1ccccc1
InChIInChI=1S/C6H6N.CH3.ClH.Mg/c7-6-4-2-1-3-5-6;;;/h1-5,7H;1H3;1H;/q2*-1;;+2/p-1
InChIKeyBEDAHWYGCVSPCK-UHFFFAOYSA-M
MW166.91 g/mol
LogP-0.56
Rot. Bonds

About magnesium;carbanide;phenylazanide;chloride

magnesium;carbanide;phenylazanide;chloride (PubChem CID 21475452) has the molecular formula C7H9ClMgN- and a molecular weight of 166.91 g/mol. Its IUPAC name is magnesium;carbanide;phenylazanide;chloride.

Molecular Properties

Compound Namemagnesium;carbanide;phenylazanide;chloride
PubChem CID21475452
Molecular FormulaC7H9ClMgN-
Molecular Weight166.91 g/mol
Exact Mass166.03
IUPAC Namemagnesium;carbanide;phenylazanide;chloride
SMILES[CH3-].[Cl-].[Mg+2].[NH-]c1ccccc1
InChIInChI=1S/C6H6N.CH3.ClH.Mg/c7-6-4-2-1-3-5-6;;;/h1-5,7H;1H3;1H;/q2*-1;;+2/p-1
InChIKeyBEDAHWYGCVSPCK-UHFFFAOYSA-M
XLogP-0.56
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.91
LogP ≤ 5-0.56
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;carbanide;phenylazanide;chloride?
The IUPAC name of magnesium;carbanide;phenylazanide;chloride (CID 21475452) is magnesium;carbanide;phenylazanide;chloride.
What is the SMILES notation for magnesium;carbanide;phenylazanide;chloride?
The canonical SMILES for magnesium;carbanide;phenylazanide;chloride is [CH3-].[Cl-].[Mg+2].[NH-]c1ccccc1.
What is the InChIKey of magnesium;carbanide;phenylazanide;chloride?
The InChIKey is BEDAHWYGCVSPCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.CH3.ClH.Mg/c7-6-4-2-1-3-5-6;;;/h1-5,7H;1H3;1H;/q2*-1;;+2/p-1.
What are the key properties of magnesium;carbanide;phenylazanide;chloride?
magnesium;carbanide;phenylazanide;chloride has a molecular weight of 166.91 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;phenylazanide;chloride is sourced from PubChem (CID 21475452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).