CID 22401835

C9H10BrCl2Si — CID 22401835

IUPAC—
SMILESCC(C[Si](Cl)Cl)c1cccc(Br)c1
InChIInChI=1S/C9H10BrCl2Si/c1-7(6-13(11)12)8-3-2-4-9(10)5-8/h2-5,7H,6H2,1H3
InChIKeyINWCBGFNHFIXRH-UHFFFAOYSA-N
MW297.08 g/mol
LogP4.52
Rot. Bonds3

About CID 22401835

CID 22401835 (PubChem CID 22401835) has the molecular formula C9H10BrCl2Si and a molecular weight of 297.08 g/mol.

Molecular Properties

Compound NameCID 22401835
PubChem CID22401835
Molecular FormulaC9H10BrCl2Si
Molecular Weight297.08 g/mol
Exact Mass294.91
IUPAC Name—
SMILESCC(C[Si](Cl)Cl)c1cccc(Br)c1
InChIInChI=1S/C9H10BrCl2Si/c1-7(6-13(11)12)8-3-2-4-9(10)5-8/h2-5,7H,6H2,1H3
InChIKeyINWCBGFNHFIXRH-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 54.52
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 22401835?
The IUPAC name of CID 22401835 (CID 22401835) is not available.
What is the SMILES notation for CID 22401835?
The canonical SMILES for CID 22401835 is CC(C[Si](Cl)Cl)c1cccc(Br)c1.
What is the InChIKey of CID 22401835?
The InChIKey is INWCBGFNHFIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2Si/c1-7(6-13(11)12)8-3-2-4-9(10)5-8/h2-5,7H,6H2,1H3.
What are the key properties of CID 22401835?
CID 22401835 has a molecular weight of 297.08 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22401835 is sourced from PubChem (CID 22401835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).