magnesium;1-chloro-3-methylbenzene-4-ide;bromide

C7H6BrClMg — CID 54711286

IUPACmagnesium;1-chloro-3-methylbenzene-4-ide;bromide
SMILESCc1[c-]ccc(Cl)c1.[Br-].[Mg+2]
InChIInChI=1S/C7H6Cl.BrH.Mg/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyOTJHKHOEPCGDQY-UHFFFAOYSA-M
MW229.79 g/mol
LogP-0.93
Rot. Bonds

About magnesium;1-chloro-3-methylbenzene-4-ide;bromide

magnesium;1-chloro-3-methylbenzene-4-ide;bromide (PubChem CID 54711286) has the molecular formula C7H6BrClMg and a molecular weight of 229.79 g/mol. Its IUPAC name is magnesium;1-chloro-3-methylbenzene-4-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-3-methylbenzene-4-ide;bromide
PubChem CID54711286
Molecular FormulaC7H6BrClMg
Molecular Weight229.79 g/mol
Exact Mass227.92
IUPAC Namemagnesium;1-chloro-3-methylbenzene-4-ide;bromide
SMILESCc1[c-]ccc(Cl)c1.[Br-].[Mg+2]
InChIInChI=1S/C7H6Cl.BrH.Mg/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyOTJHKHOEPCGDQY-UHFFFAOYSA-M
XLogP-0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;1-chloro-3-methylbenzene-4-ide;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-3-methylbenzene-4-ide;bromide?
The IUPAC name of magnesium;1-chloro-3-methylbenzene-4-ide;bromide (CID 54711286) is magnesium;1-chloro-3-methylbenzene-4-ide;bromide.
What is the SMILES notation for magnesium;1-chloro-3-methylbenzene-4-ide;bromide?
The canonical SMILES for magnesium;1-chloro-3-methylbenzene-4-ide;bromide is Cc1[c-]ccc(Cl)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-3-methylbenzene-4-ide;bromide?
The InChIKey is OTJHKHOEPCGDQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6Cl.BrH.Mg/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-3-methylbenzene-4-ide;bromide?
magnesium;1-chloro-3-methylbenzene-4-ide;bromide has a molecular weight of 229.79 g/mol, XLogP of -0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-3-methylbenzene-4-ide;bromide is sourced from PubChem (CID 54711286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).