magnesium;fluorobenzene;bromide

C6H4BrFMg — CID 6093568

IUPACmagnesium;fluorobenzene;bromide
SMILESFc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyDTKMKZYEOXZPQZ-UHFFFAOYSA-M
MW199.31 g/mol
LogP-1.75
Rot. Bonds

About magnesium;fluorobenzene;bromide

magnesium;fluorobenzene;bromide (PubChem CID 6093568) has the molecular formula C6H4BrFMg and a molecular weight of 199.31 g/mol. Its IUPAC name is magnesium;fluorobenzene;bromide.

Molecular Properties

Compound Namemagnesium;fluorobenzene;bromide
PubChem CID6093568
Molecular FormulaC6H4BrFMg
Molecular Weight199.31 g/mol
Exact Mass197.93
IUPAC Namemagnesium;fluorobenzene;bromide
SMILESFc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyDTKMKZYEOXZPQZ-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 5-1.75
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;fluorobenzene;bromide?
The IUPAC name of magnesium;fluorobenzene;bromide (CID 6093568) is magnesium;fluorobenzene;bromide.
What is the SMILES notation for magnesium;fluorobenzene;bromide?
The canonical SMILES for magnesium;fluorobenzene;bromide is Fc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;fluorobenzene;bromide?
The InChIKey is DTKMKZYEOXZPQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;fluorobenzene;bromide?
magnesium;fluorobenzene;bromide has a molecular weight of 199.31 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;fluorobenzene;bromide is sourced from PubChem (CID 6093568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).