CID 173265041

C20H19AlCl2Zr — CID 173265041

IUPAC—
SMILESCC[Al].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H5.Al.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;;/h2*1-7H;1H2,2H3;;2*1H;/q2*-1;;;;;+4/p-2
InChIKeyZOHJZTURGQTJMM-UHFFFAOYSA-L
MW448.48 g/mol
LogP-0.28
Rot. Bonds

About CID 173265041

CID 173265041 (PubChem CID 173265041) has the molecular formula C20H19AlCl2Zr and a molecular weight of 448.48 g/mol.

Molecular Properties

Compound NameCID 173265041
PubChem CID173265041
Molecular FormulaC20H19AlCl2Zr
Molecular Weight448.48 g/mol
Exact Mass445.97
IUPAC Name—
SMILESCC[Al].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H5.Al.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;;/h2*1-7H;1H2,2H3;;2*1H;/q2*-1;;;;;+4/p-2
InChIKeyZOHJZTURGQTJMM-UHFFFAOYSA-L
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173265041?
The IUPAC name of CID 173265041 (CID 173265041) is not available.
What is the SMILES notation for CID 173265041?
The canonical SMILES for CID 173265041 is CC[Al].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173265041?
The InChIKey is ZOHJZTURGQTJMM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C2H5.Al.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;;/h2*1-7H;1H2,2H3;;2*1H;/q2*-1;;;;;+4/p-2.
What are the key properties of CID 173265041?
CID 173265041 has a molecular weight of 448.48 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173265041 is sourced from PubChem (CID 173265041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).