magnesium;1-chlorobutane;bromide

C4H8BrClMg — CID 11063336

IUPACmagnesium;1-chlorobutane;bromide
SMILES[Br-].[CH2-]CCCCl.[Mg+2]
InChIInChI=1S/C4H8Cl.BrH.Mg/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1
InChIKeyVBFGSXMMVXPAAL-UHFFFAOYSA-M
MW195.77 g/mol
LogP-1.54
Rot. Bonds2

About magnesium;1-chlorobutane;bromide

magnesium;1-chlorobutane;bromide (PubChem CID 11063336) has the molecular formula C4H8BrClMg and a molecular weight of 195.77 g/mol. Its IUPAC name is magnesium;1-chlorobutane;bromide.

Molecular Properties

Compound Namemagnesium;1-chlorobutane;bromide
PubChem CID11063336
Molecular FormulaC4H8BrClMg
Molecular Weight195.77 g/mol
Exact Mass193.93
IUPAC Namemagnesium;1-chlorobutane;bromide
SMILES[Br-].[CH2-]CCCCl.[Mg+2]
InChIInChI=1S/C4H8Cl.BrH.Mg/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1
InChIKeyVBFGSXMMVXPAAL-UHFFFAOYSA-M
XLogP-1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.77
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobutylzinc bromide solution
CID 4176273
5,5-Dichloropentylmagnesium bromide
CID 129806815
5-Chloropentylmagnesium bromide, 0.50 M in THF
CID 13240509
Magnesium;1-chlorobutane;chloride
CID 14059072
ZINC;1-chlorobutane;bromide
CID 18503995
CID 53627501
CID 53627501
CID 87068053
CID 87068053
CID 87886476
CID 87886476
1-Chlorobutane;hydrobromide
CID 88096814
1-Chlorobutane;ZINC;hydrobromide
CID 88116667
Magnesium;1-chlorobutane;hydride
CID 172997910
Magnesium;1,4-dichlorobutane;hydride
CID 173184004

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chlorobutane;bromide?
The IUPAC name of magnesium;1-chlorobutane;bromide (CID 11063336) is magnesium;1-chlorobutane;bromide.
What is the SMILES notation for magnesium;1-chlorobutane;bromide?
The canonical SMILES for magnesium;1-chlorobutane;bromide is [Br-].[CH2-]CCCCl.[Mg+2].
What is the InChIKey of magnesium;1-chlorobutane;bromide?
The InChIKey is VBFGSXMMVXPAAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8Cl.BrH.Mg/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chlorobutane;bromide?
magnesium;1-chlorobutane;bromide has a molecular weight of 195.77 g/mol, XLogP of -1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chlorobutane;bromide is sourced from PubChem (CID 11063336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).