magnesium;3-phenyl-1,2-oxazole;bromide

C9H6BrMgNO — CID 88840800

IUPACmagnesium;3-phenyl-1,2-oxazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(-c2ccon2)cc1
InChIInChI=1S/C9H6NO.BrH.Mg/c1-2-4-8(5-3-1)9-6-7-11-10-9;;/h2-7H;1H;/q-1;;+2/p-1
InChIKeyPHRUPPSHCXCGPO-UHFFFAOYSA-M
MW248.36 g/mol
LogP-1.24
Rot. Bonds1

About magnesium;3-phenyl-1,2-oxazole;bromide

magnesium;3-phenyl-1,2-oxazole;bromide (PubChem CID 88840800) has the molecular formula C9H6BrMgNO and a molecular weight of 248.36 g/mol. Its IUPAC name is magnesium;3-phenyl-1,2-oxazole;bromide.

Molecular Properties

Compound Namemagnesium;3-phenyl-1,2-oxazole;bromide
PubChem CID88840800
Molecular FormulaC9H6BrMgNO
Molecular Weight248.36 g/mol
Exact Mass246.95
IUPAC Namemagnesium;3-phenyl-1,2-oxazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(-c2ccon2)cc1
InChIInChI=1S/C9H6NO.BrH.Mg/c1-2-4-8(5-3-1)9-6-7-11-10-9;;/h2-7H;1H;/q-1;;+2/p-1
InChIKeyPHRUPPSHCXCGPO-UHFFFAOYSA-M
XLogP-1.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;3-phenyl-1,2-oxazole;bromide?
The IUPAC name of magnesium;3-phenyl-1,2-oxazole;bromide (CID 88840800) is magnesium;3-phenyl-1,2-oxazole;bromide.
What is the SMILES notation for magnesium;3-phenyl-1,2-oxazole;bromide?
The canonical SMILES for magnesium;3-phenyl-1,2-oxazole;bromide is [Br-].[Mg+2].[c-]1ccc(-c2ccon2)cc1.
What is the InChIKey of magnesium;3-phenyl-1,2-oxazole;bromide?
The InChIKey is PHRUPPSHCXCGPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6NO.BrH.Mg/c1-2-4-8(5-3-1)9-6-7-11-10-9;;/h2-7H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-phenyl-1,2-oxazole;bromide?
magnesium;3-phenyl-1,2-oxazole;bromide has a molecular weight of 248.36 g/mol, XLogP of -1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-phenyl-1,2-oxazole;bromide is sourced from PubChem (CID 88840800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).