CID 173309894

C22H16Cl2HfSi — CID 173309894

IUPAC—
SMILES[Cl-].[Cl-].[Hf+4].[Si].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H7.2ClH.Hf.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;;;;/h1-9H;1-7H;2*1H;;/q2*-1;;;+4;/p-2
InChIKeyVZGIYUIRLCEYJZ-UHFFFAOYSA-L
MW557.85 g/mol
LogP-0.10
Rot. Bonds

About CID 173309894

CID 173309894 (PubChem CID 173309894) has the molecular formula C22H16Cl2HfSi and a molecular weight of 557.85 g/mol.

Molecular Properties

Compound NameCID 173309894
PubChem CID173309894
Molecular FormulaC22H16Cl2HfSi
Molecular Weight557.85 g/mol
Exact Mass557.99
IUPAC Name—
SMILES[Cl-].[Cl-].[Hf+4].[Si].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H7.2ClH.Hf.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;;;;/h1-9H;1-7H;2*1H;;/q2*-1;;;+4;/p-2
InChIKeyVZGIYUIRLCEYJZ-UHFFFAOYSA-L
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.85
LogP ≤ 5-0.10
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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Related Compounds

CID 173309893
CID 173309893
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
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9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
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CID 158657616
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1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
CID 173019923
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
CID 172782986
CID 172782986
CID 173237214
CID 173237214
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850

Frequently Asked Questions

What is the IUPAC name of CID 173309894?
The IUPAC name of CID 173309894 (CID 173309894) is not available.
What is the SMILES notation for CID 173309894?
The canonical SMILES for CID 173309894 is [Cl-].[Cl-].[Hf+4].[Si].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173309894?
The InChIKey is VZGIYUIRLCEYJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C9H7.2ClH.Hf.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;;;;/h1-9H;1-7H;2*1H;;/q2*-1;;;+4;/p-2.
What are the key properties of CID 173309894?
CID 173309894 has a molecular weight of 557.85 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173309894 is sourced from PubChem (CID 173309894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).