magnesium;1-methyl-4-phenylbenzene;bromide

C13H11BrMg — CID 91655477

IUPACmagnesium;1-methyl-4-phenylbenzene;bromide
SMILESCc1ccc(-c2c[c-]ccc2)cc1.[Br-].[Mg+2]
InChIInChI=1S/C13H11.BrH.Mg/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h2-3,5-10H,1H3;1H;/q-1;;+2/p-1
InChIKeyBZGOHGILTJXAGP-UHFFFAOYSA-M
MW271.44 g/mol
LogP0.09
Rot. Bonds1

About magnesium;1-methyl-4-phenylbenzene;bromide

magnesium;1-methyl-4-phenylbenzene;bromide (PubChem CID 91655477) has the molecular formula C13H11BrMg and a molecular weight of 271.44 g/mol. Its IUPAC name is magnesium;1-methyl-4-phenylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-methyl-4-phenylbenzene;bromide
PubChem CID91655477
Molecular FormulaC13H11BrMg
Molecular Weight271.44 g/mol
Exact Mass269.99
IUPAC Namemagnesium;1-methyl-4-phenylbenzene;bromide
SMILESCc1ccc(-c2c[c-]ccc2)cc1.[Br-].[Mg+2]
InChIInChI=1S/C13H11.BrH.Mg/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h2-3,5-10H,1H3;1H;/q-1;;+2/p-1
InChIKeyBZGOHGILTJXAGP-UHFFFAOYSA-M
XLogP0.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 50.09
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;1-methyl-4-phenylbenzene;bromide?
The IUPAC name of magnesium;1-methyl-4-phenylbenzene;bromide (CID 91655477) is magnesium;1-methyl-4-phenylbenzene;bromide.
What is the SMILES notation for magnesium;1-methyl-4-phenylbenzene;bromide?
The canonical SMILES for magnesium;1-methyl-4-phenylbenzene;bromide is Cc1ccc(-c2c[c-]ccc2)cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-methyl-4-phenylbenzene;bromide?
The InChIKey is BZGOHGILTJXAGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11.BrH.Mg/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h2-3,5-10H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methyl-4-phenylbenzene;bromide?
magnesium;1-methyl-4-phenylbenzene;bromide has a molecular weight of 271.44 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methyl-4-phenylbenzene;bromide is sourced from PubChem (CID 91655477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).