zinc;carbon dioxide;dichloride

CCl2O2Zn — CID 175490150

IUPACzinc;carbon dioxide;dichloride
SMILESO=C=O.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/CO2.2ClH.Zn/c2-1-3;;;/h;2*1H;/q;;;+2/p-2
InChIKeyYBNKCXWKTBEQPW-UHFFFAOYSA-L
MW180.30 g/mol
LogP-6.58
Rot. Bonds

About zinc;carbon dioxide;dichloride

zinc;carbon dioxide;dichloride (PubChem CID 175490150) has the molecular formula CCl2O2Zn and a molecular weight of 180.30 g/mol. Its IUPAC name is zinc;carbon dioxide;dichloride.

Molecular Properties

Compound Namezinc;carbon dioxide;dichloride
PubChem CID175490150
Molecular FormulaCCl2O2Zn
Molecular Weight180.30 g/mol
Exact Mass177.86
IUPAC Namezinc;carbon dioxide;dichloride
SMILESO=C=O.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/CO2.2ClH.Zn/c2-1-3;;;/h;2*1H;/q;;;+2/p-2
InChIKeyYBNKCXWKTBEQPW-UHFFFAOYSA-L
XLogP-6.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 5-6.58
H-Bond Donors ≤ 50
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;carbon dioxide;dichloride?
The IUPAC name of zinc;carbon dioxide;dichloride (CID 175490150) is zinc;carbon dioxide;dichloride.
What is the SMILES notation for zinc;carbon dioxide;dichloride?
The canonical SMILES for zinc;carbon dioxide;dichloride is O=C=O.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;carbon dioxide;dichloride?
The InChIKey is YBNKCXWKTBEQPW-UHFFFAOYSA-L. The full InChI is InChI=1S/CO2.2ClH.Zn/c2-1-3;;;/h;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;carbon dioxide;dichloride?
zinc;carbon dioxide;dichloride has a molecular weight of 180.30 g/mol, XLogP of -6.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbon dioxide;dichloride is sourced from PubChem (CID 175490150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).