dichlorozirconium;methanol

C2H8Cl2O2Zr — CID 18688138

IUPACdichlorozirconium;methanol
SMILESCO.CO.Cl[Zr]Cl
InChIInChI=1S/2CH4O.2ClH.Zr/c2*1-2;;;/h2*2H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyMYYZAJNYRLKBOX-UHFFFAOYSA-L
MW226.21 g/mol
LogP0.59
Rot. Bonds

About dichlorozirconium;methanol

dichlorozirconium;methanol (PubChem CID 18688138) has the molecular formula C2H8Cl2O2Zr and a molecular weight of 226.21 g/mol. Its IUPAC name is dichlorozirconium;methanol.

Molecular Properties

Compound Namedichlorozirconium;methanol
PubChem CID18688138
Molecular FormulaC2H8Cl2O2Zr
Molecular Weight226.21 g/mol
Exact Mass223.89
IUPAC Namedichlorozirconium;methanol
SMILESCO.CO.Cl[Zr]Cl
InChIInChI=1S/2CH4O.2ClH.Zr/c2*1-2;;;/h2*2H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyMYYZAJNYRLKBOX-UHFFFAOYSA-L
XLogP0.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;methanol?
The IUPAC name of dichlorozirconium;methanol (CID 18688138) is dichlorozirconium;methanol.
What is the SMILES notation for dichlorozirconium;methanol?
The canonical SMILES for dichlorozirconium;methanol is CO.CO.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;methanol?
The InChIKey is MYYZAJNYRLKBOX-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4O.2ClH.Zr/c2*1-2;;;/h2*2H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlorozirconium;methanol?
dichlorozirconium;methanol has a molecular weight of 226.21 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;methanol is sourced from PubChem (CID 18688138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).