magnesium;benzonitrile;chloride

C7H4ClMgN — CID 11263669

IUPACmagnesium;benzonitrile;chloride
SMILESN#Cc1c[c-]ccc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H4N.ClH.Mg/c8-6-7-4-2-1-3-5-7;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyAZFDJLLRMUDKHN-UHFFFAOYSA-M
MW161.87 g/mol
LogP-2.02
Rot. Bonds

About magnesium;benzonitrile;chloride

magnesium;benzonitrile;chloride (PubChem CID 11263669) has the molecular formula C7H4ClMgN and a molecular weight of 161.87 g/mol. Its IUPAC name is magnesium;benzonitrile;chloride.

Molecular Properties

Compound Namemagnesium;benzonitrile;chloride
PubChem CID11263669
Molecular FormulaC7H4ClMgN
Molecular Weight161.87 g/mol
Exact Mass160.99
IUPAC Namemagnesium;benzonitrile;chloride
SMILESN#Cc1c[c-]ccc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H4N.ClH.Mg/c8-6-7-4-2-1-3-5-7;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyAZFDJLLRMUDKHN-UHFFFAOYSA-M
XLogP-2.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.87
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyanophenylzinc bromide
CID 4229823
Zinc bromide 4-cyanobenzen-1-ide (1/1/1)
CID 5073750
4-Cyanophenylzinc bromide
CID 18188582
Lithium, (4-cyanophenyl)-
CID 12276954
1-Cyano-1,4-cyclopentadiene
CID 12156911
4-Cyanophenylmagnesium chloride
CID 11252171
4-Cyanophenylzinc iodide
CID 11369897
Zinc, (2-cyanophenyl)iodo-
CID 11748425
Magnesium;benzonitrile;chloride
CID 12188423
2-Cyano-phenyllithium
CID 12276952
Cyclohexa-1,3-diene-1-carbonitrile
CID 13153847
4-Cyanophenylmagnesium bromide
CID 14786407

Frequently Asked Questions

What is the IUPAC name of magnesium;benzonitrile;chloride?
The IUPAC name of magnesium;benzonitrile;chloride (CID 11263669) is magnesium;benzonitrile;chloride.
What is the SMILES notation for magnesium;benzonitrile;chloride?
The canonical SMILES for magnesium;benzonitrile;chloride is N#Cc1c[c-]ccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;benzonitrile;chloride?
The InChIKey is AZFDJLLRMUDKHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4N.ClH.Mg/c8-6-7-4-2-1-3-5-7;;/h1-2,4-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;benzonitrile;chloride?
magnesium;benzonitrile;chloride has a molecular weight of 161.87 g/mol, XLogP of -2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzonitrile;chloride is sourced from PubChem (CID 11263669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).