ethanone;zirconium;tetrahydrochloride

C2H7Cl4OZr- — CID 174366776

IUPACethanone;zirconium;tetrahydrochloride
SMILESC[C-]=O.Cl.Cl.Cl.Cl.[Zr]
InChIInChI=1S/C2H3O.4ClH.Zr/c1-2-3;;;;;/h1H3;4*1H;/q-1;;;;;
InChIKeyKQBBXPUEPQOOMU-UHFFFAOYSA-N
MW280.11 g/mol
LogP1.80
Rot. Bonds

About ethanone;zirconium;tetrahydrochloride

ethanone;zirconium;tetrahydrochloride (PubChem CID 174366776) has the molecular formula C2H7Cl4OZr- and a molecular weight of 280.11 g/mol. Its IUPAC name is ethanone;zirconium;tetrahydrochloride.

Molecular Properties

Compound Nameethanone;zirconium;tetrahydrochloride
PubChem CID174366776
Molecular FormulaC2H7Cl4OZr-
Molecular Weight280.11 g/mol
Exact Mass276.83
IUPAC Nameethanone;zirconium;tetrahydrochloride
SMILESC[C-]=O.Cl.Cl.Cl.Cl.[Zr]
InChIInChI=1S/C2H3O.4ClH.Zr/c1-2-3;;;;;/h1H3;4*1H;/q-1;;;;;
InChIKeyKQBBXPUEPQOOMU-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanone;zirconium;tetrahydrochloride?
The IUPAC name of ethanone;zirconium;tetrahydrochloride (CID 174366776) is ethanone;zirconium;tetrahydrochloride.
What is the SMILES notation for ethanone;zirconium;tetrahydrochloride?
The canonical SMILES for ethanone;zirconium;tetrahydrochloride is C[C-]=O.Cl.Cl.Cl.Cl.[Zr].
What is the InChIKey of ethanone;zirconium;tetrahydrochloride?
The InChIKey is KQBBXPUEPQOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.4ClH.Zr/c1-2-3;;;;;/h1H3;4*1H;/q-1;;;;;.
What are the key properties of ethanone;zirconium;tetrahydrochloride?
ethanone;zirconium;tetrahydrochloride has a molecular weight of 280.11 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;zirconium;tetrahydrochloride is sourced from PubChem (CID 174366776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).