CID 173283821

C24H19Cl2HfSi — CID 173283821

IUPAC—
SMILES[Cl-].[Cl-].[Hf+4].[Si]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H5Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;;/h2*1-7H;1-5H;2*1H;/q2*-1;;;;+4/p-2
InChIKeyWYKSFNWROXRVSR-UHFFFAOYSA-L
MW584.90 g/mol
LogP-0.40
Rot. Bonds

About CID 173283821

CID 173283821 (PubChem CID 173283821) has the molecular formula C24H19Cl2HfSi and a molecular weight of 584.90 g/mol.

Molecular Properties

Compound NameCID 173283821
PubChem CID173283821
Molecular FormulaC24H19Cl2HfSi
Molecular Weight584.90 g/mol
Exact Mass585.01
IUPAC Name—
SMILES[Cl-].[Cl-].[Hf+4].[Si]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H5Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;;/h2*1-7H;1-5H;2*1H;/q2*-1;;;;+4/p-2
InChIKeyWYKSFNWROXRVSR-UHFFFAOYSA-L
XLogP-0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.90
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173283821?
The IUPAC name of CID 173283821 (CID 173283821) is not available.
What is the SMILES notation for CID 173283821?
The canonical SMILES for CID 173283821 is [Cl-].[Cl-].[Hf+4].[Si]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173283821?
The InChIKey is WYKSFNWROXRVSR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C6H5Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;;/h2*1-7H;1-5H;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173283821?
CID 173283821 has a molecular weight of 584.90 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173283821 is sourced from PubChem (CID 173283821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).