CID 70019746

C12H8Cl2LiSi — CID 70019746

IUPAC—
SMILESCl[Si]1(Cl)c2ccccc2-c2ccccc21.[Li]
InChIInChI=1S/C12H8Cl2Si.Li/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;/h1-8H;
InChIKeyNMRSLAPMFQPMOQ-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.32
Rot. Bonds

About CID 70019746

CID 70019746 (PubChem CID 70019746) has the molecular formula C12H8Cl2LiSi and a molecular weight of 258.13 g/mol.

Molecular Properties

Compound NameCID 70019746
PubChem CID70019746
Molecular FormulaC12H8Cl2LiSi
Molecular Weight258.13 g/mol
Exact Mass256.99
IUPAC Name—
SMILESCl[Si]1(Cl)c2ccccc2-c2ccccc21.[Li]
InChIInChI=1S/C12H8Cl2Si.Li/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;/h1-8H;
InChIKeyNMRSLAPMFQPMOQ-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70019746?
The IUPAC name of CID 70019746 (CID 70019746) is not available.
What is the SMILES notation for CID 70019746?
The canonical SMILES for CID 70019746 is Cl[Si]1(Cl)c2ccccc2-c2ccccc21.[Li].
What is the InChIKey of CID 70019746?
The InChIKey is NMRSLAPMFQPMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2Si.Li/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;/h1-8H;.
What are the key properties of CID 70019746?
CID 70019746 has a molecular weight of 258.13 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70019746 is sourced from PubChem (CID 70019746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).