bromozinc(1+);1-chlorobutane

C4H8BrClZn — CID 4176273

IUPACbromozinc(1+);1-chlorobutane
SMILES[CH2-]CCCCl.[Zn+]Br
InChIInChI=1S/C4H8Cl.BrH.Zn/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1
InChIKeyPOIGMXAECHVVIK-UHFFFAOYSA-M
MW236.85 g/mol
LogP2.68
Rot. Bonds2

About bromozinc(1+);1-chlorobutane

bromozinc(1+);1-chlorobutane (PubChem CID 4176273) has the molecular formula C4H8BrClZn and a molecular weight of 236.85 g/mol. Its IUPAC name is bromozinc(1+);1-chlorobutane.

Molecular Properties

Compound Namebromozinc(1+);1-chlorobutane
PubChem CID4176273
Molecular FormulaC4H8BrClZn
Molecular Weight236.85 g/mol
Exact Mass233.88
IUPAC Namebromozinc(1+);1-chlorobutane
SMILES[CH2-]CCCCl.[Zn+]Br
InChIInChI=1S/C4H8Cl.BrH.Zn/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1
InChIKeyPOIGMXAECHVVIK-UHFFFAOYSA-M
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.85
LogP ≤ 52.68
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-chlorobutane?
The IUPAC name of bromozinc(1+);1-chlorobutane (CID 4176273) is bromozinc(1+);1-chlorobutane.
What is the SMILES notation for bromozinc(1+);1-chlorobutane?
The canonical SMILES for bromozinc(1+);1-chlorobutane is [CH2-]CCCCl.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-chlorobutane?
The InChIKey is POIGMXAECHVVIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8Cl.BrH.Zn/c1-2-3-4-5;;/h1-4H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-chlorobutane?
bromozinc(1+);1-chlorobutane has a molecular weight of 236.85 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-chlorobutane is sourced from PubChem (CID 4176273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).