magnesium;(213C)ethane;bromide

C2H5BrMg — CID 12053737

IUPACmagnesium;(213C)ethane;bromide
SMILESC[13CH2-].[Br-].[Mg+2]
InChIInChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i1+1;;
InChIKeyFRIJBUGBVQZNTB-GOCMCNPZSA-M
MW134.26 g/mol
LogP-2.54
Rot. Bonds

About magnesium;(213C)ethane;bromide

magnesium;(213C)ethane;bromide (PubChem CID 12053737) has the molecular formula C2H5BrMg and a molecular weight of 134.26 g/mol. Its IUPAC name is magnesium;(213C)ethane;bromide.

Molecular Properties

Compound Namemagnesium;(213C)ethane;bromide
PubChem CID12053737
Molecular FormulaC2H5BrMg
Molecular Weight134.26 g/mol
Exact Mass132.95
IUPAC Namemagnesium;(213C)ethane;bromide
SMILESC[13CH2-].[Br-].[Mg+2]
InChIInChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i1+1;;
InChIKeyFRIJBUGBVQZNTB-GOCMCNPZSA-M
XLogP-2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.26
LogP ≤ 5-2.54
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;(213C)ethane;bromide?
The IUPAC name of magnesium;(213C)ethane;bromide (CID 12053737) is magnesium;(213C)ethane;bromide.
What is the SMILES notation for magnesium;(213C)ethane;bromide?
The canonical SMILES for magnesium;(213C)ethane;bromide is C[13CH2-].[Br-].[Mg+2].
What is the InChIKey of magnesium;(213C)ethane;bromide?
The InChIKey is FRIJBUGBVQZNTB-GOCMCNPZSA-M. The full InChI is InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i1+1;;.
What are the key properties of magnesium;(213C)ethane;bromide?
magnesium;(213C)ethane;bromide has a molecular weight of 134.26 g/mol, XLogP of -2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(213C)ethane;bromide is sourced from PubChem (CID 12053737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).