magnesium;methoxybenzene;bromide

C7H7BrMgO — CID 2734898

IUPACmagnesium;methoxybenzene;bromide
SMILESCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyRBWRWAUAVRMBAC-UHFFFAOYSA-M
MW211.34 g/mol
LogP-1.88
Rot. Bonds1

About magnesium;methoxybenzene;bromide

magnesium;methoxybenzene;bromide (PubChem CID 2734898) has the molecular formula C7H7BrMgO and a molecular weight of 211.34 g/mol. Its IUPAC name is magnesium;methoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;methoxybenzene;bromide
PubChem CID2734898
Molecular FormulaC7H7BrMgO
Molecular Weight211.34 g/mol
Exact Mass209.95
IUPAC Namemagnesium;methoxybenzene;bromide
SMILESCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyRBWRWAUAVRMBAC-UHFFFAOYSA-M
XLogP-1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 5-1.88
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;methoxybenzene;bromide?
The IUPAC name of magnesium;methoxybenzene;bromide (CID 2734898) is magnesium;methoxybenzene;bromide.
What is the SMILES notation for magnesium;methoxybenzene;bromide?
The canonical SMILES for magnesium;methoxybenzene;bromide is COc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;methoxybenzene;bromide?
The InChIKey is RBWRWAUAVRMBAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;methoxybenzene;bromide?
magnesium;methoxybenzene;bromide has a molecular weight of 211.34 g/mol, XLogP of -1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methoxybenzene;bromide is sourced from PubChem (CID 2734898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).