magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide

C7H6BrFMgO — CID 6093570

IUPACmagnesium;1-fluoro-2-methoxybenzene-5-ide;bromide
SMILESCOc1cc[c-]cc1F.[Br-].[Mg+2]
InChIInChI=1S/C7H6FO.BrH.Mg/c1-9-7-5-3-2-4-6(7)8;;/h3-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyBUUJBXGCPIVODW-UHFFFAOYSA-M
MW229.33 g/mol
LogP-1.74
Rot. Bonds1

About magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide

magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide (PubChem CID 6093570) has the molecular formula C7H6BrFMgO and a molecular weight of 229.33 g/mol. Its IUPAC name is magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-fluoro-2-methoxybenzene-5-ide;bromide
PubChem CID6093570
Molecular FormulaC7H6BrFMgO
Molecular Weight229.33 g/mol
Exact Mass227.94
IUPAC Namemagnesium;1-fluoro-2-methoxybenzene-5-ide;bromide
SMILESCOc1cc[c-]cc1F.[Br-].[Mg+2]
InChIInChI=1S/C7H6FO.BrH.Mg/c1-9-7-5-3-2-4-6(7)8;;/h3-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyBUUJBXGCPIVODW-UHFFFAOYSA-M
XLogP-1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-1.74
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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Related Compounds

4-Methoxyphenylmagnesium bromide
CID 2734898
2-Methoxyphenylmagnesium bromide
CID 4280988
3-Methoxyphenylmagnesium bromide
CID 4605969
2,5-Dimethoxyphenylmagnesium bromide
CID 11085924
Magnesium bromide 2,4-dimethoxybenzen-1-ide (1/1/1)
CID 11333951
Magnesium bromide 4-(trifluoromethoxy)benzen-1-ide (1/1/1)
CID 13504095
Magnesium, chloro(2-methoxyphenyl)-
CID 110410
3-Fluoro-4-methoxyphenylmagnesium bromide
CID 2778214
5-Fluoro-2-methoxyphenylmagnesium bromide
CID 2778879
3-(Trifluoromethoxy)phenylmagnesium bromide
CID 71310845
Lithium, (2-methoxyphenyl)-
CID 11062341
Lithium, (4-methoxyphenyl)-
CID 11789170

Frequently Asked Questions

What is the IUPAC name of magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide?
The IUPAC name of magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide (CID 6093570) is magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide?
The canonical SMILES for magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide is COc1cc[c-]cc1F.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide?
The InChIKey is BUUJBXGCPIVODW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6FO.BrH.Mg/c1-9-7-5-3-2-4-6(7)8;;/h3-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide?
magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide has a molecular weight of 229.33 g/mol, XLogP of -1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-2-methoxybenzene-5-ide;bromide is sourced from PubChem (CID 6093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).