magnesium;benzonitrile;bromide

C7H4BrMgN — CID 14786407

IUPACmagnesium;benzonitrile;bromide
SMILESN#Cc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4N.BrH.Mg/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyGIPUMOUXQRILTN-UHFFFAOYSA-M
MW206.33 g/mol
LogP-2.02
Rot. Bonds

About magnesium;benzonitrile;bromide

magnesium;benzonitrile;bromide (PubChem CID 14786407) has the molecular formula C7H4BrMgN and a molecular weight of 206.33 g/mol. Its IUPAC name is magnesium;benzonitrile;bromide.

Molecular Properties

Compound Namemagnesium;benzonitrile;bromide
PubChem CID14786407
Molecular FormulaC7H4BrMgN
Molecular Weight206.33 g/mol
Exact Mass204.94
IUPAC Namemagnesium;benzonitrile;bromide
SMILESN#Cc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4N.BrH.Mg/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyGIPUMOUXQRILTN-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 ≤ 500206.33
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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Frequently Asked Questions

What is the IUPAC name of magnesium;benzonitrile;bromide?
The IUPAC name of magnesium;benzonitrile;bromide (CID 14786407) is magnesium;benzonitrile;bromide.
What is the SMILES notation for magnesium;benzonitrile;bromide?
The canonical SMILES for magnesium;benzonitrile;bromide is N#Cc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;benzonitrile;bromide?
The InChIKey is GIPUMOUXQRILTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4N.BrH.Mg/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;benzonitrile;bromide?
magnesium;benzonitrile;bromide has a molecular weight of 206.33 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;bromide is sourced from PubChem (CID 14786407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).