magnesium;methoxybenzene;fluoride;hydrobromide

C7H8BrFMgO — CID 87188173

IUPACmagnesium;methoxybenzene;fluoride;hydrobromide
SMILESBr.COc1cc[c-]cc1.[F-].[Mg+2]
InChIInChI=1S/C7H7O.BrH.FH.Mg/c1-8-7-5-3-2-4-6-7;;;/h3-6H,1H3;2*1H;/q-1;;;+2/p-1
InChIKeyDCTARZSFHXPRMY-UHFFFAOYSA-M
MW231.35 g/mol
LogP-1.30
Rot. Bonds1

About magnesium;methoxybenzene;fluoride;hydrobromide

magnesium;methoxybenzene;fluoride;hydrobromide (PubChem CID 87188173) has the molecular formula C7H8BrFMgO and a molecular weight of 231.35 g/mol. Its IUPAC name is magnesium;methoxybenzene;fluoride;hydrobromide.

Molecular Properties

Compound Namemagnesium;methoxybenzene;fluoride;hydrobromide
PubChem CID87188173
Molecular FormulaC7H8BrFMgO
Molecular Weight231.35 g/mol
Exact Mass229.96
IUPAC Namemagnesium;methoxybenzene;fluoride;hydrobromide
SMILESBr.COc1cc[c-]cc1.[F-].[Mg+2]
InChIInChI=1S/C7H7O.BrH.FH.Mg/c1-8-7-5-3-2-4-6-7;;;/h3-6H,1H3;2*1H;/q-1;;;+2/p-1
InChIKeyDCTARZSFHXPRMY-UHFFFAOYSA-M
XLogP-1.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 5-1.30
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;fluoride;hydrobromide?
The IUPAC name of magnesium;methoxybenzene;fluoride;hydrobromide (CID 87188173) is magnesium;methoxybenzene;fluoride;hydrobromide.
What is the SMILES notation for magnesium;methoxybenzene;fluoride;hydrobromide?
The canonical SMILES for magnesium;methoxybenzene;fluoride;hydrobromide is Br.COc1cc[c-]cc1.[F-].[Mg+2].
What is the InChIKey of magnesium;methoxybenzene;fluoride;hydrobromide?
The InChIKey is DCTARZSFHXPRMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7O.BrH.FH.Mg/c1-8-7-5-3-2-4-6-7;;;/h3-6H,1H3;2*1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;methoxybenzene;fluoride;hydrobromide?
magnesium;methoxybenzene;fluoride;hydrobromide has a molecular weight of 231.35 g/mol, XLogP of -1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methoxybenzene;fluoride;hydrobromide is sourced from PubChem (CID 87188173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).