magnesium;methylbenzene;chloride;hydrobromide

C7H8BrClMg — CID 87204624

IUPACmagnesium;methylbenzene;chloride;hydrobromide
SMILESBr.Cc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H7.BrH.ClH.Mg/c1-7-5-3-2-4-6-7;;;/h3-6H,1H3;2*1H;/q-1;;;+2/p-1
InChIKeyMTTQGOUJEOBQTM-UHFFFAOYSA-M
MW231.80 g/mol
LogP-1.00
Rot. Bonds

About magnesium;methylbenzene;chloride;hydrobromide

magnesium;methylbenzene;chloride;hydrobromide (PubChem CID 87204624) has the molecular formula C7H8BrClMg and a molecular weight of 231.80 g/mol. Its IUPAC name is magnesium;methylbenzene;chloride;hydrobromide.

Molecular Properties

Compound Namemagnesium;methylbenzene;chloride;hydrobromide
PubChem CID87204624
Molecular FormulaC7H8BrClMg
Molecular Weight231.80 g/mol
Exact Mass229.93
IUPAC Namemagnesium;methylbenzene;chloride;hydrobromide
SMILESBr.Cc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H7.BrH.ClH.Mg/c1-7-5-3-2-4-6-7;;;/h3-6H,1H3;2*1H;/q-1;;;+2/p-1
InChIKeyMTTQGOUJEOBQTM-UHFFFAOYSA-M
XLogP-1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.80
LogP ≤ 5-1.00
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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Related Compounds

2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
2-Methyl-1,3-cyclohexadiene
CID 73885
(3E)-2-Methyl-1,3-pentadiene
CID 638070
o-Tolylmagnesium chloride
CID 118563
Magnesium, bromo(4-methylphenyl)-
CID 3644322
Magnesium, chloro(4-methylphenyl)-
CID 11829629
1,3,5-Hexatriene, 2-methyl-, (E)-
CID 5367392
Bromo-o-tolylmagnesium
CID 101919
Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1)
CID 2778169
m-Tolylmagnesium chloride
CID 4384483
2-Mesitylmagnesium bromide
CID 5098599

Frequently Asked Questions

What is the IUPAC name of magnesium;methylbenzene;chloride;hydrobromide?
The IUPAC name of magnesium;methylbenzene;chloride;hydrobromide (CID 87204624) is magnesium;methylbenzene;chloride;hydrobromide.
What is the SMILES notation for magnesium;methylbenzene;chloride;hydrobromide?
The canonical SMILES for magnesium;methylbenzene;chloride;hydrobromide is Br.Cc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;methylbenzene;chloride;hydrobromide?
The InChIKey is MTTQGOUJEOBQTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.BrH.ClH.Mg/c1-7-5-3-2-4-6-7;;;/h3-6H,1H3;2*1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;methylbenzene;chloride;hydrobromide?
magnesium;methylbenzene;chloride;hydrobromide has a molecular weight of 231.80 g/mol, XLogP of -1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methylbenzene;chloride;hydrobromide is sourced from PubChem (CID 87204624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).