2-chloroethanol;zirconium

C2H5ClOZr — CID 162223906

IUPAC2-chloroethanol;zirconium
SMILESOCCCl.[Zr]
InChIInChI=1S/C2H5ClO.Zr/c3-1-2-4;/h4H,1-2H2;
InChIKeyZUMOUMPJKKOZNQ-UHFFFAOYSA-N
MW171.74 g/mol
LogP0.22
Rot. Bonds1

About 2-chloroethanol;zirconium

2-chloroethanol;zirconium (PubChem CID 162223906) has the molecular formula C2H5ClOZr and a molecular weight of 171.74 g/mol. Its IUPAC name is 2-chloroethanol;zirconium.

Molecular Properties

Compound Name2-chloroethanol;zirconium
PubChem CID162223906
Molecular FormulaC2H5ClOZr
Molecular Weight171.74 g/mol
Exact Mass169.91
IUPAC Name2-chloroethanol;zirconium
SMILESOCCCl.[Zr]
InChIInChI=1S/C2H5ClO.Zr/c3-1-2-4;/h4H,1-2H2;
InChIKeyZUMOUMPJKKOZNQ-UHFFFAOYSA-N
XLogP0.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.74
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethanol;zirconium?
The IUPAC name of 2-chloroethanol;zirconium (CID 162223906) is 2-chloroethanol;zirconium.
What is the SMILES notation for 2-chloroethanol;zirconium?
The canonical SMILES for 2-chloroethanol;zirconium is OCCCl.[Zr].
What is the InChIKey of 2-chloroethanol;zirconium?
The InChIKey is ZUMOUMPJKKOZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO.Zr/c3-1-2-4;/h4H,1-2H2;.
What are the key properties of 2-chloroethanol;zirconium?
2-chloroethanol;zirconium has a molecular weight of 171.74 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanol;zirconium is sourced from PubChem (CID 162223906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).