bromozinc(1+);1-chloropropane

C3H6BrClZn — CID 171688021

IUPACbromozinc(1+);1-chloropropane
SMILES[CH2-]CCCl.[Zn+]Br
InChIInChI=1S/C3H6Cl.BrH.Zn/c1-2-3-4;;/h1-3H2;1H;/q-1;;+2/p-1
InChIKeyJUAXZTXSQVFRQI-UHFFFAOYSA-M
MW222.83 g/mol
LogP2.29
Rot. Bonds1

About bromozinc(1+);1-chloropropane

bromozinc(1+);1-chloropropane (PubChem CID 171688021) has the molecular formula C3H6BrClZn and a molecular weight of 222.83 g/mol. Its IUPAC name is bromozinc(1+);1-chloropropane.

Molecular Properties

Compound Namebromozinc(1+);1-chloropropane
PubChem CID171688021
Molecular FormulaC3H6BrClZn
Molecular Weight222.83 g/mol
Exact Mass219.86
IUPAC Namebromozinc(1+);1-chloropropane
SMILES[CH2-]CCCl.[Zn+]Br
InChIInChI=1S/C3H6Cl.BrH.Zn/c1-2-3-4;;/h1-3H2;1H;/q-1;;+2/p-1
InChIKeyJUAXZTXSQVFRQI-UHFFFAOYSA-M
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.83
LogP ≤ 52.29
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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Related Compounds

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CID 174572587
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chlorozinc(1+);hexane
CID 12931149
bromozinc(1+);N,N-dimethylpropan-1-amine
CID 56652850
hexane;uranium
CID 163483777
trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
CID 161310817
dimagnesium;hexane;dibromide
CID 10334549
alumane;1,8-dichlorooctane
CID 173313045
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CID 11665662

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-chloropropane?
The IUPAC name of bromozinc(1+);1-chloropropane (CID 171688021) is bromozinc(1+);1-chloropropane.
What is the SMILES notation for bromozinc(1+);1-chloropropane?
The canonical SMILES for bromozinc(1+);1-chloropropane is [CH2-]CCCl.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-chloropropane?
The InChIKey is JUAXZTXSQVFRQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6Cl.BrH.Zn/c1-2-3-4;;/h1-3H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-chloropropane?
bromozinc(1+);1-chloropropane has a molecular weight of 222.83 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-chloropropane is sourced from PubChem (CID 171688021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).