CID 157447863

C20H18Cl2HfSi — CID 157447863

IUPAC—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].[Si]
InChIInChI=1S/2C10H9.2ClH.Hf.Si/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*2-7H,1H3;2*1H;;/q2*-1;;;+4;/p-2
InChIKeyBSJZONDWKASIOG-UHFFFAOYSA-L
MW535.85 g/mol
LogP-0.64
Rot. Bonds

About CID 157447863

CID 157447863 (PubChem CID 157447863) has the molecular formula C20H18Cl2HfSi and a molecular weight of 535.85 g/mol.

Molecular Properties

Compound NameCID 157447863
PubChem CID157447863
Molecular FormulaC20H18Cl2HfSi
Molecular Weight535.85 g/mol
Exact Mass536.00
IUPAC Name—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].[Si]
InChIInChI=1S/2C10H9.2ClH.Hf.Si/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*2-7H,1H3;2*1H;;/q2*-1;;;+4;/p-2
InChIKeyBSJZONDWKASIOG-UHFFFAOYSA-L
XLogP-0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.85
LogP ≤ 5-0.64
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 157447863?
The IUPAC name of CID 157447863 (CID 157447863) is not available.
What is the SMILES notation for CID 157447863?
The canonical SMILES for CID 157447863 is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].[Si].
What is the InChIKey of CID 157447863?
The InChIKey is BSJZONDWKASIOG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.2ClH.Hf.Si/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*2-7H,1H3;2*1H;;/q2*-1;;;+4;/p-2.
What are the key properties of CID 157447863?
CID 157447863 has a molecular weight of 535.85 g/mol, XLogP of -0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157447863 is sourced from PubChem (CID 157447863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).