methanol;zirconium;chloride

C3H12ClO3Zr- — CID 18688498

IUPACmethanol;zirconium;chloride
SMILESCO.CO.CO.[Cl-].[Zr]
InChIInChI=1S/3CH4O.ClH.Zr/c3*1-2;;/h3*2H,1H3;1H;/p-1
InChIKeyXQPGAUJNAAPXHA-UHFFFAOYSA-M
MW222.80 g/mol
LogP-4.17
Rot. Bonds

About methanol;zirconium;chloride

methanol;zirconium;chloride (PubChem CID 18688498) has the molecular formula C3H12ClO3Zr- and a molecular weight of 222.80 g/mol. Its IUPAC name is methanol;zirconium;chloride.

Molecular Properties

Compound Namemethanol;zirconium;chloride
PubChem CID18688498
Molecular FormulaC3H12ClO3Zr-
Molecular Weight222.80 g/mol
Exact Mass220.95
IUPAC Namemethanol;zirconium;chloride
SMILESCO.CO.CO.[Cl-].[Zr]
InChIInChI=1S/3CH4O.ClH.Zr/c3*1-2;;/h3*2H,1H3;1H;/p-1
InChIKeyXQPGAUJNAAPXHA-UHFFFAOYSA-M
XLogP-4.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.80
LogP ≤ 5-4.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;zirconium;chloride?
The IUPAC name of methanol;zirconium;chloride (CID 18688498) is methanol;zirconium;chloride.
What is the SMILES notation for methanol;zirconium;chloride?
The canonical SMILES for methanol;zirconium;chloride is CO.CO.CO.[Cl-].[Zr].
What is the InChIKey of methanol;zirconium;chloride?
The InChIKey is XQPGAUJNAAPXHA-UHFFFAOYSA-M. The full InChI is InChI=1S/3CH4O.ClH.Zr/c3*1-2;;/h3*2H,1H3;1H;/p-1.
What are the key properties of methanol;zirconium;chloride?
methanol;zirconium;chloride has a molecular weight of 222.80 g/mol, XLogP of -4.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;zirconium;chloride is sourced from PubChem (CID 18688498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).