dichlorozirconium;3-methyl-1H-inden-1-ide

C10H9Cl2Zr- — CID 173023652

IUPACdichlorozirconium;3-methyl-1H-inden-1-ide
SMILESCc1c[cH-]c2ccccc12.Cl[Zr]Cl
InChIInChI=1S/C10H9.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyTZPQICKRWJAITF-UHFFFAOYSA-L
MW291.31 g/mol
LogP4.24
Rot. Bonds

About dichlorozirconium;3-methyl-1H-inden-1-ide

dichlorozirconium;3-methyl-1H-inden-1-ide (PubChem CID 173023652) has the molecular formula C10H9Cl2Zr- and a molecular weight of 291.31 g/mol. Its IUPAC name is dichlorozirconium;3-methyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;3-methyl-1H-inden-1-ide
PubChem CID173023652
Molecular FormulaC10H9Cl2Zr-
Molecular Weight291.31 g/mol
Exact Mass288.91
IUPAC Namedichlorozirconium;3-methyl-1H-inden-1-ide
SMILESCc1c[cH-]c2ccccc12.Cl[Zr]Cl
InChIInChI=1S/C10H9.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyTZPQICKRWJAITF-UHFFFAOYSA-L
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.24
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 dichlorozirconium;3-methyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;3-methyl-1H-inden-1-ide (CID 173023652) is dichlorozirconium;3-methyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;3-methyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;3-methyl-1H-inden-1-ide is Cc1c[cH-]c2ccccc12.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;3-methyl-1H-inden-1-ide?
The InChIKey is TZPQICKRWJAITF-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;3-methyl-1H-inden-1-ide?
dichlorozirconium;3-methyl-1H-inden-1-ide has a molecular weight of 291.31 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;3-methyl-1H-inden-1-ide is sourced from PubChem (CID 173023652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).