trichloro-(2-chlorophenyl)silane

C6H4Cl4Si — CID 524531

IUPACtrichloro-(2-chlorophenyl)silane
SMILESClc1ccccc1[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl4Si/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKeyNYQDBZQWFXNBRZ-UHFFFAOYSA-N
MW246.00 g/mol
LogP3.20
Rot. Bonds1

About trichloro-(2-chlorophenyl)silane

trichloro-(2-chlorophenyl)silane (PubChem CID 524531) has the molecular formula C6H4Cl4Si and a molecular weight of 246.00 g/mol. Its IUPAC name is trichloro-(2-chlorophenyl)silane.

Molecular Properties

Compound Nametrichloro-(2-chlorophenyl)silane
PubChem CID524531
Molecular FormulaC6H4Cl4Si
Molecular Weight246.00 g/mol
Exact Mass243.88
IUPAC Nametrichloro-(2-chlorophenyl)silane
SMILESClc1ccccc1[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl4Si/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKeyNYQDBZQWFXNBRZ-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.00
LogP ≤ 53.20
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 trichloro-(2-chlorophenyl)silane?
The IUPAC name of trichloro-(2-chlorophenyl)silane (CID 524531) is trichloro-(2-chlorophenyl)silane.
What is the SMILES notation for trichloro-(2-chlorophenyl)silane?
The canonical SMILES for trichloro-(2-chlorophenyl)silane is Clc1ccccc1[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-(2-chlorophenyl)silane?
The InChIKey is NYQDBZQWFXNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl4Si/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H.
What are the key properties of trichloro-(2-chlorophenyl)silane?
trichloro-(2-chlorophenyl)silane has a molecular weight of 246.00 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(2-chlorophenyl)silane is sourced from PubChem (CID 524531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).