magnesium;chlorobenzene;ethane;hydrobromide

C8H10BrClMg — CID 88733199

IUPACmagnesium;chlorobenzene;ethane;hydrobromide
SMILESBr.Clc1c[c-]ccc1.[CH2-]C.[Mg+2]
InChIInChI=1S/C6H4Cl.C2H5.BrH.Mg/c7-6-4-2-1-3-5-6;1-2;;/h1-2,4-5H;1H2,2H3;1H;/q2*-1;;+2
InChIKeyOJEFVLJNUGETQM-UHFFFAOYSA-N
MW245.83 g/mol
LogP3.18
Rot. Bonds

About magnesium;chlorobenzene;ethane;hydrobromide

magnesium;chlorobenzene;ethane;hydrobromide (PubChem CID 88733199) has the molecular formula C8H10BrClMg and a molecular weight of 245.83 g/mol. Its IUPAC name is magnesium;chlorobenzene;ethane;hydrobromide.

Molecular Properties

Compound Namemagnesium;chlorobenzene;ethane;hydrobromide
PubChem CID88733199
Molecular FormulaC8H10BrClMg
Molecular Weight245.83 g/mol
Exact Mass243.95
IUPAC Namemagnesium;chlorobenzene;ethane;hydrobromide
SMILESBr.Clc1c[c-]ccc1.[CH2-]C.[Mg+2]
InChIInChI=1S/C6H4Cl.C2H5.BrH.Mg/c7-6-4-2-1-3-5-6;1-2;;/h1-2,4-5H;1H2,2H3;1H;/q2*-1;;+2
InChIKeyOJEFVLJNUGETQM-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.83
LogP ≤ 53.18
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;chlorobenzene;ethane;hydrobromide?
The IUPAC name of magnesium;chlorobenzene;ethane;hydrobromide (CID 88733199) is magnesium;chlorobenzene;ethane;hydrobromide.
What is the SMILES notation for magnesium;chlorobenzene;ethane;hydrobromide?
The canonical SMILES for magnesium;chlorobenzene;ethane;hydrobromide is Br.Clc1c[c-]ccc1.[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;chlorobenzene;ethane;hydrobromide?
The InChIKey is OJEFVLJNUGETQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl.C2H5.BrH.Mg/c7-6-4-2-1-3-5-6;1-2;;/h1-2,4-5H;1H2,2H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;chlorobenzene;ethane;hydrobromide?
magnesium;chlorobenzene;ethane;hydrobromide has a molecular weight of 245.83 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;chlorobenzene;ethane;hydrobromide is sourced from PubChem (CID 88733199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).