CID 21404928

C8H9BrCl2Si — CID 21404928

IUPAC—
SMILESCl[Si]CCBr.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C2H4BrClSi/c7-6-4-2-1-3-5-6;3-1-2-5-4/h1-5H;1-2H2
InChIKeyJCAQLOSZFKPUHJ-UHFFFAOYSA-N
MW284.06 g/mol
LogP4.00
Rot. Bonds2

About CID 21404928

CID 21404928 (PubChem CID 21404928) has the molecular formula C8H9BrCl2Si and a molecular weight of 284.06 g/mol.

Molecular Properties

Compound NameCID 21404928
PubChem CID21404928
Molecular FormulaC8H9BrCl2Si
Molecular Weight284.06 g/mol
Exact Mass281.90
IUPAC Name—
SMILESCl[Si]CCBr.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C2H4BrClSi/c7-6-4-2-1-3-5-6;3-1-2-5-4/h1-5H;1-2H2
InChIKeyJCAQLOSZFKPUHJ-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 54.00
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 CID 21404928?
The IUPAC name of CID 21404928 (CID 21404928) is not available.
What is the SMILES notation for CID 21404928?
The canonical SMILES for CID 21404928 is Cl[Si]CCBr.Clc1ccccc1.
What is the InChIKey of CID 21404928?
The InChIKey is JCAQLOSZFKPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C2H4BrClSi/c7-6-4-2-1-3-5-6;3-1-2-5-4/h1-5H;1-2H2.
What are the key properties of CID 21404928?
CID 21404928 has a molecular weight of 284.06 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21404928 is sourced from PubChem (CID 21404928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).