trichloro-[3-(chloromethyl)phenyl]silane

C7H6Cl4Si — CID 101022563

IUPACtrichloro-[3-(chloromethyl)phenyl]silane
SMILESClCc1cccc([Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C7H6Cl4Si/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2
InChIKeyLMJOPSPKVNKFHE-UHFFFAOYSA-N
MW260.02 g/mol
LogP3.29
Rot. Bonds2

About trichloro-[3-(chloromethyl)phenyl]silane

trichloro-[3-(chloromethyl)phenyl]silane (PubChem CID 101022563) has the molecular formula C7H6Cl4Si and a molecular weight of 260.02 g/mol. Its IUPAC name is trichloro-[3-(chloromethyl)phenyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(chloromethyl)phenyl]silane
PubChem CID101022563
Molecular FormulaC7H6Cl4Si
Molecular Weight260.02 g/mol
Exact Mass257.90
IUPAC Nametrichloro-[3-(chloromethyl)phenyl]silane
SMILESClCc1cccc([Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C7H6Cl4Si/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2
InChIKeyLMJOPSPKVNKFHE-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.02
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-[3-(chloromethyl)phenyl]silane?
The IUPAC name of trichloro-[3-(chloromethyl)phenyl]silane (CID 101022563) is trichloro-[3-(chloromethyl)phenyl]silane.
What is the SMILES notation for trichloro-[3-(chloromethyl)phenyl]silane?
The canonical SMILES for trichloro-[3-(chloromethyl)phenyl]silane is ClCc1cccc([Si](Cl)(Cl)Cl)c1.
What is the InChIKey of trichloro-[3-(chloromethyl)phenyl]silane?
The InChIKey is LMJOPSPKVNKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl4Si/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2.
What are the key properties of trichloro-[3-(chloromethyl)phenyl]silane?
trichloro-[3-(chloromethyl)phenyl]silane has a molecular weight of 260.02 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(chloromethyl)phenyl]silane is sourced from PubChem (CID 101022563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).