magnesium;1-chloro-4-methoxybenzene-5-ide;bromide

C7H6BrClMgO — CID 11207325

IUPACmagnesium;1-chloro-4-methoxybenzene-5-ide;bromide
SMILESCOc1[c-]cc(Cl)cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H6ClO.BrH.Mg/c1-9-7-4-2-6(8)3-5-7;;/h2-4H,1H3;1H;/q-1;;+2/p-1
InChIKeyXQHICYTZXDCCPP-UHFFFAOYSA-M
MW245.79 g/mol
LogP-1.23
Rot. Bonds1

About magnesium;1-chloro-4-methoxybenzene-5-ide;bromide

magnesium;1-chloro-4-methoxybenzene-5-ide;bromide (PubChem CID 11207325) has the molecular formula C7H6BrClMgO and a molecular weight of 245.79 g/mol. Its IUPAC name is magnesium;1-chloro-4-methoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-4-methoxybenzene-5-ide;bromide
PubChem CID11207325
Molecular FormulaC7H6BrClMgO
Molecular Weight245.79 g/mol
Exact Mass243.91
IUPAC Namemagnesium;1-chloro-4-methoxybenzene-5-ide;bromide
SMILESCOc1[c-]cc(Cl)cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H6ClO.BrH.Mg/c1-9-7-4-2-6(8)3-5-7;;/h2-4H,1H3;1H;/q-1;;+2/p-1
InChIKeyXQHICYTZXDCCPP-UHFFFAOYSA-M
XLogP-1.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 5-1.23
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;1-chloro-4-methoxybenzene-5-ide;bromide?
The IUPAC name of magnesium;1-chloro-4-methoxybenzene-5-ide;bromide (CID 11207325) is magnesium;1-chloro-4-methoxybenzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-chloro-4-methoxybenzene-5-ide;bromide?
The canonical SMILES for magnesium;1-chloro-4-methoxybenzene-5-ide;bromide is COc1[c-]cc(Cl)cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-4-methoxybenzene-5-ide;bromide?
The InChIKey is XQHICYTZXDCCPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClO.BrH.Mg/c1-9-7-4-2-6(8)3-5-7;;/h2-4H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-4-methoxybenzene-5-ide;bromide?
magnesium;1-chloro-4-methoxybenzene-5-ide;bromide has a molecular weight of 245.79 g/mol, XLogP of -1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-4-methoxybenzene-5-ide;bromide is sourced from PubChem (CID 11207325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).