(5-bromo-2-methylphenyl)methyl-trichlorosilane

C8H8BrCl3Si — CID 69461549

IUPAC(5-bromo-2-methylphenyl)methyl-trichlorosilane
SMILESCc1ccc(Br)cc1C[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H8BrCl3Si/c1-6-2-3-8(9)4-7(6)5-13(10,11)12/h2-4H,5H2,1H3
InChIKeyDTTVPGHDCNZCMB-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.49
Rot. Bonds2

About (5-bromo-2-methylphenyl)methyl-trichlorosilane

(5-bromo-2-methylphenyl)methyl-trichlorosilane (PubChem CID 69461549) has the molecular formula C8H8BrCl3Si and a molecular weight of 318.50 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)methyl-trichlorosilane.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)methyl-trichlorosilane
PubChem CID69461549
Molecular FormulaC8H8BrCl3Si
Molecular Weight318.50 g/mol
Exact Mass315.86
IUPAC Name(5-bromo-2-methylphenyl)methyl-trichlorosilane
SMILESCc1ccc(Br)cc1C[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H8BrCl3Si/c1-6-2-3-8(9)4-7(6)5-13(10,11)12/h2-4H,5H2,1H3
InChIKeyDTTVPGHDCNZCMB-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.49
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)methyl-trichlorosilane?
The IUPAC name of (5-bromo-2-methylphenyl)methyl-trichlorosilane (CID 69461549) is (5-bromo-2-methylphenyl)methyl-trichlorosilane.
What is the SMILES notation for (5-bromo-2-methylphenyl)methyl-trichlorosilane?
The canonical SMILES for (5-bromo-2-methylphenyl)methyl-trichlorosilane is Cc1ccc(Br)cc1C[Si](Cl)(Cl)Cl.
What is the InChIKey of (5-bromo-2-methylphenyl)methyl-trichlorosilane?
The InChIKey is DTTVPGHDCNZCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl3Si/c1-6-2-3-8(9)4-7(6)5-13(10,11)12/h2-4H,5H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)methyl-trichlorosilane?
(5-bromo-2-methylphenyl)methyl-trichlorosilane has a molecular weight of 318.50 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)methyl-trichlorosilane is sourced from PubChem (CID 69461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).