zinc;hydrogen carbonate;chloride

CHClO3Zn — CID 146216563

IUPACzinc;hydrogen carbonate;chloride
SMILESO=C([O-])O.[Cl-].[Zn+2]
InChIInChI=1S/CH2O3.ClH.Zn/c2-1(3)4;;/h(H2,2,3,4);1H;/q;;+2/p-2
InChIKeyBPSZCTCPJAIAHL-UHFFFAOYSA-L
MW161.86 g/mol
LogP-4.11
Rot. Bonds

About zinc;hydrogen carbonate;chloride

zinc;hydrogen carbonate;chloride (PubChem CID 146216563) has the molecular formula CHClO3Zn and a molecular weight of 161.86 g/mol. Its IUPAC name is zinc;hydrogen carbonate;chloride.

Molecular Properties

Compound Namezinc;hydrogen carbonate;chloride
PubChem CID146216563
Molecular FormulaCHClO3Zn
Molecular Weight161.86 g/mol
Exact Mass159.89
IUPAC Namezinc;hydrogen carbonate;chloride
SMILESO=C([O-])O.[Cl-].[Zn+2]
InChIInChI=1S/CH2O3.ClH.Zn/c2-1(3)4;;/h(H2,2,3,4);1H;/q;;+2/p-2
InChIKeyBPSZCTCPJAIAHL-UHFFFAOYSA-L
XLogP-4.11
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.86
LogP ≤ 5-4.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;hydrogen carbonate;chloride?
The IUPAC name of zinc;hydrogen carbonate;chloride (CID 146216563) is zinc;hydrogen carbonate;chloride.
What is the SMILES notation for zinc;hydrogen carbonate;chloride?
The canonical SMILES for zinc;hydrogen carbonate;chloride is O=C([O-])O.[Cl-].[Zn+2].
What is the InChIKey of zinc;hydrogen carbonate;chloride?
The InChIKey is BPSZCTCPJAIAHL-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.ClH.Zn/c2-1(3)4;;/h(H2,2,3,4);1H;/q;;+2/p-2.
What are the key properties of zinc;hydrogen carbonate;chloride?
zinc;hydrogen carbonate;chloride has a molecular weight of 161.86 g/mol, XLogP of -4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hydrogen carbonate;chloride is sourced from PubChem (CID 146216563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).