magnesium;1-fluoro-3-phenylbenzene;bromide

C12H8BrFMg — CID 90238815

IUPACmagnesium;1-fluoro-3-phenylbenzene;bromide
SMILESFc1cccc(-c2[c-]cccc2)c1.[Br-].[Mg+2]
InChIInChI=1S/C12H8F.BrH.Mg/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h1-5,7-9H;1H;/q-1;;+2/p-1
InChIKeyANXJPDWSXNAFAU-UHFFFAOYSA-M
MW275.40 g/mol
LogP-0.08
Rot. Bonds1

About magnesium;1-fluoro-3-phenylbenzene;bromide

magnesium;1-fluoro-3-phenylbenzene;bromide (PubChem CID 90238815) has the molecular formula C12H8BrFMg and a molecular weight of 275.40 g/mol. Its IUPAC name is magnesium;1-fluoro-3-phenylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-fluoro-3-phenylbenzene;bromide
PubChem CID90238815
Molecular FormulaC12H8BrFMg
Molecular Weight275.40 g/mol
Exact Mass273.96
IUPAC Namemagnesium;1-fluoro-3-phenylbenzene;bromide
SMILESFc1cccc(-c2[c-]cccc2)c1.[Br-].[Mg+2]
InChIInChI=1S/C12H8F.BrH.Mg/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h1-5,7-9H;1H;/q-1;;+2/p-1
InChIKeyANXJPDWSXNAFAU-UHFFFAOYSA-M
XLogP-0.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 5-0.08
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;1-fluoro-3-phenylbenzene;bromide?
The IUPAC name of magnesium;1-fluoro-3-phenylbenzene;bromide (CID 90238815) is magnesium;1-fluoro-3-phenylbenzene;bromide.
What is the SMILES notation for magnesium;1-fluoro-3-phenylbenzene;bromide?
The canonical SMILES for magnesium;1-fluoro-3-phenylbenzene;bromide is Fc1cccc(-c2[c-]cccc2)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-3-phenylbenzene;bromide?
The InChIKey is ANXJPDWSXNAFAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8F.BrH.Mg/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h1-5,7-9H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-fluoro-3-phenylbenzene;bromide?
magnesium;1-fluoro-3-phenylbenzene;bromide has a molecular weight of 275.40 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-3-phenylbenzene;bromide is sourced from PubChem (CID 90238815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).