CID 173188093

C12H15Cl2HfNOSi — CID 173188093

IUPAC—
SMILESC[Si]C.[Cl-].[Cl-].[Hf+4].[NH-]C=O.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C2H6Si.CH3NO.2ClH.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-3-2;2-1-3;;;/h1-7H;1-2H3;1H,(H2,2,3);2*1H;/q-1;;;;;+4/p-3
InChIKeyXHGCLHLJAGPYCD-UHFFFAOYSA-K
MW466.74 g/mol
LogP-2.45
Rot. Bonds

About CID 173188093

CID 173188093 (PubChem CID 173188093) has the molecular formula C12H15Cl2HfNOSi and a molecular weight of 466.74 g/mol.

Molecular Properties

Compound NameCID 173188093
PubChem CID173188093
Molecular FormulaC12H15Cl2HfNOSi
Molecular Weight466.74 g/mol
Exact Mass466.98
IUPAC Name—
SMILESC[Si]C.[Cl-].[Cl-].[Hf+4].[NH-]C=O.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C2H6Si.CH3NO.2ClH.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-3-2;2-1-3;;;/h1-7H;1-2H3;1H,(H2,2,3);2*1H;/q-1;;;;;+4/p-3
InChIKeyXHGCLHLJAGPYCD-UHFFFAOYSA-K
XLogP-2.45
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.74
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 173188093?
The IUPAC name of CID 173188093 (CID 173188093) is not available.
What is the SMILES notation for CID 173188093?
The canonical SMILES for CID 173188093 is C[Si]C.[Cl-].[Cl-].[Hf+4].[NH-]C=O.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173188093?
The InChIKey is XHGCLHLJAGPYCD-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.C2H6Si.CH3NO.2ClH.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-3-2;2-1-3;;;/h1-7H;1-2H3;1H,(H2,2,3);2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173188093?
CID 173188093 has a molecular weight of 466.74 g/mol, XLogP of -2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188093 is sourced from PubChem (CID 173188093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).