magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide

C6BrCl2F3Mg — CID 87244356

IUPACmagnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide
SMILESFc1[c-]c(F)c(Cl)c(F)c1Cl.[Br-].[Mg+2]
InChIInChI=1S/C6Cl2F3.BrH.Mg/c7-4-2(9)1-3(10)5(8)6(4)11;;/h;1H;/q-1;;+2/p-1
InChIKeyIESYLIPVTJIHBQ-UHFFFAOYSA-M
MW304.18 g/mol
LogP-0.17
Rot. Bonds

About magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide

magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide (PubChem CID 87244356) has the molecular formula C6BrCl2F3Mg and a molecular weight of 304.18 g/mol. Its IUPAC name is magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide
PubChem CID87244356
Molecular FormulaC6BrCl2F3Mg
Molecular Weight304.18 g/mol
Exact Mass301.84
IUPAC Namemagnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide
SMILESFc1[c-]c(F)c(Cl)c(F)c1Cl.[Br-].[Mg+2]
InChIInChI=1S/C6Cl2F3.BrH.Mg/c7-4-2(9)1-3(10)5(8)6(4)11;;/h;1H;/q-1;;+2/p-1
InChIKeyIESYLIPVTJIHBQ-UHFFFAOYSA-M
XLogP-0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide?
The IUPAC name of magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide (CID 87244356) is magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide.
What is the SMILES notation for magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide?
The canonical SMILES for magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide is Fc1[c-]c(F)c(Cl)c(F)c1Cl.[Br-].[Mg+2].
What is the InChIKey of magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide?
The InChIKey is IESYLIPVTJIHBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6Cl2F3.BrH.Mg/c7-4-2(9)1-3(10)5(8)6(4)11;;/h;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide?
magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide has a molecular weight of 304.18 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide is sourced from PubChem (CID 87244356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).