magnesium;benzene;hydrochloride

C12H11ClMg — CID 174786510

IUPACmagnesium;benzene;hydrochloride
SMILESCl.[Mg+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.ClH.Mg/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H;/q2*-1;;+2
InChIKeyLJJDVPWUWTYLKF-UHFFFAOYSA-N
MW214.98 g/mol
LogP3.01
Rot. Bonds

About magnesium;benzene;hydrochloride

magnesium;benzene;hydrochloride (PubChem CID 174786510) has the molecular formula C12H11ClMg and a molecular weight of 214.98 g/mol. Its IUPAC name is magnesium;benzene;hydrochloride.

Molecular Properties

Compound Namemagnesium;benzene;hydrochloride
PubChem CID174786510
Molecular FormulaC12H11ClMg
Molecular Weight214.98 g/mol
Exact Mass214.04
IUPAC Namemagnesium;benzene;hydrochloride
SMILESCl.[Mg+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.ClH.Mg/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H;/q2*-1;;+2
InChIKeyLJJDVPWUWTYLKF-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.98
LogP ≤ 53.01
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;hydrochloride?
The IUPAC name of magnesium;benzene;hydrochloride (CID 174786510) is magnesium;benzene;hydrochloride.
What is the SMILES notation for magnesium;benzene;hydrochloride?
The canonical SMILES for magnesium;benzene;hydrochloride is Cl.[Mg+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;hydrochloride?
The InChIKey is LJJDVPWUWTYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.ClH.Mg/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H;/q2*-1;;+2.
What are the key properties of magnesium;benzene;hydrochloride?
magnesium;benzene;hydrochloride has a molecular weight of 214.98 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;hydrochloride is sourced from PubChem (CID 174786510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).