CID 45052166

C6H5BrOSi — CID 45052166

IUPAC—
SMILESBrc1ccccc1.O=[Si]
InChIInChI=1S/C6H5Br.OSi/c7-6-4-2-1-3-5-6;1-2/h1-5H;
InChIKeyAWJJTNHVFPRCST-UHFFFAOYSA-N
MW201.10 g/mol
LogP1.95
Rot. Bonds

About CID 45052166

CID 45052166 (PubChem CID 45052166) has the molecular formula C6H5BrOSi and a molecular weight of 201.10 g/mol.

Molecular Properties

Compound NameCID 45052166
PubChem CID45052166
Molecular FormulaC6H5BrOSi
Molecular Weight201.10 g/mol
Exact Mass199.93
IUPAC Name—
SMILESBrc1ccccc1.O=[Si]
InChIInChI=1S/C6H5Br.OSi/c7-6-4-2-1-3-5-6;1-2/h1-5H;
InChIKeyAWJJTNHVFPRCST-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 45052166?
The IUPAC name of CID 45052166 (CID 45052166) is not available.
What is the SMILES notation for CID 45052166?
The canonical SMILES for CID 45052166 is Brc1ccccc1.O=[Si].
What is the InChIKey of CID 45052166?
The InChIKey is AWJJTNHVFPRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.OSi/c7-6-4-2-1-3-5-6;1-2/h1-5H;.
What are the key properties of CID 45052166?
CID 45052166 has a molecular weight of 201.10 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45052166 is sourced from PubChem (CID 45052166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).