bis(3,4-dichlorophenol);zirconium

C12H8Cl4O2Zr — CID 161397670

IUPACbis(3,4-dichlorophenol);zirconium
SMILESOc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)c(Cl)c1.[Zr]
InChIInChI=1S/2C6H4Cl2O.Zr/c2*7-5-2-1-4(9)3-6(5)8;/h2*1-3,9H;
InChIKeyGWYVJLZUZNLFCK-UHFFFAOYSA-N
MW417.23 g/mol
LogP5.40
Rot. Bonds

About bis(3,4-dichlorophenol);zirconium

bis(3,4-dichlorophenol);zirconium (PubChem CID 161397670) has the molecular formula C12H8Cl4O2Zr and a molecular weight of 417.23 g/mol. Its IUPAC name is bis(3,4-dichlorophenol);zirconium.

Molecular Properties

Compound Namebis(3,4-dichlorophenol);zirconium
PubChem CID161397670
Molecular FormulaC12H8Cl4O2Zr
Molecular Weight417.23 g/mol
Exact Mass413.83
IUPAC Namebis(3,4-dichlorophenol);zirconium
SMILESOc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)c(Cl)c1.[Zr]
InChIInChI=1S/2C6H4Cl2O.Zr/c2*7-5-2-1-4(9)3-6(5)8;/h2*1-3,9H;
InChIKeyGWYVJLZUZNLFCK-UHFFFAOYSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.23
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-dichlorophenol);zirconium?
The IUPAC name of bis(3,4-dichlorophenol);zirconium (CID 161397670) is bis(3,4-dichlorophenol);zirconium.
What is the SMILES notation for bis(3,4-dichlorophenol);zirconium?
The canonical SMILES for bis(3,4-dichlorophenol);zirconium is Oc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)c(Cl)c1.[Zr].
What is the InChIKey of bis(3,4-dichlorophenol);zirconium?
The InChIKey is GWYVJLZUZNLFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4Cl2O.Zr/c2*7-5-2-1-4(9)3-6(5)8;/h2*1-3,9H;.
What are the key properties of bis(3,4-dichlorophenol);zirconium?
bis(3,4-dichlorophenol);zirconium has a molecular weight of 417.23 g/mol, XLogP of 5.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dichlorophenol);zirconium is sourced from PubChem (CID 161397670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).