ethanol;zirconium;chloride

C2H6ClOZr- — CID 19367424

IUPACethanol;zirconium;chloride
SMILESCCO.[Cl-].[Zr]
InChIInChI=1S/C2H6O.ClH.Zr/c1-2-3;;/h3H,2H2,1H3;1H;/p-1
InChIKeyYOTXQHYRNDAGBZ-UHFFFAOYSA-M
MW172.75 g/mol
LogP-3.00
Rot. Bonds

About ethanol;zirconium;chloride

ethanol;zirconium;chloride (PubChem CID 19367424) has the molecular formula C2H6ClOZr- and a molecular weight of 172.75 g/mol. Its IUPAC name is ethanol;zirconium;chloride.

Molecular Properties

Compound Nameethanol;zirconium;chloride
PubChem CID19367424
Molecular FormulaC2H6ClOZr-
Molecular Weight172.75 g/mol
Exact Mass170.92
IUPAC Nameethanol;zirconium;chloride
SMILESCCO.[Cl-].[Zr]
InChIInChI=1S/C2H6O.ClH.Zr/c1-2-3;;/h3H,2H2,1H3;1H;/p-1
InChIKeyYOTXQHYRNDAGBZ-UHFFFAOYSA-M
XLogP-3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.75
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;zirconium;chloride?
The IUPAC name of ethanol;zirconium;chloride (CID 19367424) is ethanol;zirconium;chloride.
What is the SMILES notation for ethanol;zirconium;chloride?
The canonical SMILES for ethanol;zirconium;chloride is CCO.[Cl-].[Zr].
What is the InChIKey of ethanol;zirconium;chloride?
The InChIKey is YOTXQHYRNDAGBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O.ClH.Zr/c1-2-3;;/h3H,2H2,1H3;1H;/p-1.
What are the key properties of ethanol;zirconium;chloride?
ethanol;zirconium;chloride has a molecular weight of 172.75 g/mol, XLogP of -3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;zirconium;chloride is sourced from PubChem (CID 19367424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).