magnesium;hydride;nitrobenzene

C6H7MgNO2 — CID 173371093

IUPACmagnesium;hydride;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H5NO2.Mg.2H/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;;;/q;+2;2*-1
InChIKeyMFURSHAYDQBLKA-UHFFFAOYSA-N
MW149.43 g/mol
LogP1.44
Rot. Bonds1

About magnesium;hydride;nitrobenzene

magnesium;hydride;nitrobenzene (PubChem CID 173371093) has the molecular formula C6H7MgNO2 and a molecular weight of 149.43 g/mol. Its IUPAC name is magnesium;hydride;nitrobenzene.

Molecular Properties

Compound Namemagnesium;hydride;nitrobenzene
PubChem CID173371093
Molecular FormulaC6H7MgNO2
Molecular Weight149.43 g/mol
Exact Mass149.03
IUPAC Namemagnesium;hydride;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H5NO2.Mg.2H/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;;;/q;+2;2*-1
InChIKeyMFURSHAYDQBLKA-UHFFFAOYSA-N
XLogP1.44
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 22989049
iron(3+);nitrobenzene;trichloride
CID 70503336
iron;methane;nitrobenzene
CID 175081715
nitrobenzene;sulfanol
CID 174553859
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
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CID 163592574
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CID 173344007

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;nitrobenzene?
The IUPAC name of magnesium;hydride;nitrobenzene (CID 173371093) is magnesium;hydride;nitrobenzene.
What is the SMILES notation for magnesium;hydride;nitrobenzene?
The canonical SMILES for magnesium;hydride;nitrobenzene is O=[N+]([O-])c1ccccc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;nitrobenzene?
The InChIKey is MFURSHAYDQBLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.Mg.2H/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;nitrobenzene?
magnesium;hydride;nitrobenzene has a molecular weight of 149.43 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;nitrobenzene is sourced from PubChem (CID 173371093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).