magnesium;benzene;carbanide;hydrochloride

C7H9ClMg — CID 87590020

IUPACmagnesium;benzene;carbanide;hydrochloride
SMILESCl.[CH3-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.CH3.ClH.Mg/c1-2-4-6-5-3-1;;;/h1-5H;1H3;1H;/q2*-1;;+2
InChIKeyBMFCIKXRFMZXJU-UHFFFAOYSA-N
MW152.91 g/mol
LogP1.98
Rot. Bonds

About magnesium;benzene;carbanide;hydrochloride

magnesium;benzene;carbanide;hydrochloride (PubChem CID 87590020) has the molecular formula C7H9ClMg and a molecular weight of 152.91 g/mol. Its IUPAC name is magnesium;benzene;carbanide;hydrochloride.

Molecular Properties

Compound Namemagnesium;benzene;carbanide;hydrochloride
PubChem CID87590020
Molecular FormulaC7H9ClMg
Molecular Weight152.91 g/mol
Exact Mass152.02
IUPAC Namemagnesium;benzene;carbanide;hydrochloride
SMILESCl.[CH3-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.CH3.ClH.Mg/c1-2-4-6-5-3-1;;;/h1-5H;1H3;1H;/q2*-1;;+2
InChIKeyBMFCIKXRFMZXJU-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.91
LogP ≤ 51.98
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;benzene;carbanide;hydrochloride?
The IUPAC name of magnesium;benzene;carbanide;hydrochloride (CID 87590020) is magnesium;benzene;carbanide;hydrochloride.
What is the SMILES notation for magnesium;benzene;carbanide;hydrochloride?
The canonical SMILES for magnesium;benzene;carbanide;hydrochloride is Cl.[CH3-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;carbanide;hydrochloride?
The InChIKey is BMFCIKXRFMZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CH3.ClH.Mg/c1-2-4-6-5-3-1;;;/h1-5H;1H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;benzene;carbanide;hydrochloride?
magnesium;benzene;carbanide;hydrochloride has a molecular weight of 152.91 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;carbanide;hydrochloride is sourced from PubChem (CID 87590020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).