(4-bromo-2-chlorophenoxy)-trimethylsilane

C9H12BrClOSi — CID 86015297

IUPAC(4-bromo-2-chlorophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C9H12BrClOSi/c1-13(2,3)12-9-5-4-7(10)6-8(9)11/h4-6H,1-3H3
InChIKeyJGFRMUZQBVOJSV-UHFFFAOYSA-N
MW279.64 g/mol
LogP4.32
Rot. Bonds2

About (4-bromo-2-chlorophenoxy)-trimethylsilane

(4-bromo-2-chlorophenoxy)-trimethylsilane (PubChem CID 86015297) has the molecular formula C9H12BrClOSi and a molecular weight of 279.64 g/mol. Its IUPAC name is (4-bromo-2-chlorophenoxy)-trimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-chlorophenoxy)-trimethylsilane
PubChem CID86015297
Molecular FormulaC9H12BrClOSi
Molecular Weight279.64 g/mol
Exact Mass277.95
IUPAC Name(4-bromo-2-chlorophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C9H12BrClOSi/c1-13(2,3)12-9-5-4-7(10)6-8(9)11/h4-6H,1-3H3
InChIKeyJGFRMUZQBVOJSV-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.64
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenoxy)-trimethylsilane?
The IUPAC name of (4-bromo-2-chlorophenoxy)-trimethylsilane (CID 86015297) is (4-bromo-2-chlorophenoxy)-trimethylsilane.
What is the SMILES notation for (4-bromo-2-chlorophenoxy)-trimethylsilane?
The canonical SMILES for (4-bromo-2-chlorophenoxy)-trimethylsilane is C[Si](C)(C)Oc1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenoxy)-trimethylsilane?
The InChIKey is JGFRMUZQBVOJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClOSi/c1-13(2,3)12-9-5-4-7(10)6-8(9)11/h4-6H,1-3H3.
What are the key properties of (4-bromo-2-chlorophenoxy)-trimethylsilane?
(4-bromo-2-chlorophenoxy)-trimethylsilane has a molecular weight of 279.64 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenoxy)-trimethylsilane is sourced from PubChem (CID 86015297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).