phenylboranylidenemercury

C6H5BHg — CID 14032138

IUPACphenylboranylidenemercury
SMILES[Hg]=Bc1ccccc1
InChIInChI=1S/C6H5B.Hg/c7-6-4-2-1-3-5-6;/h1-5H;
InChIKeyXDSZLYMZLNJMJA-UHFFFAOYSA-N
MW288.51 g/mol
LogP0.48
Rot. Bonds1

About phenylboranylidenemercury

phenylboranylidenemercury (PubChem CID 14032138) has the molecular formula C6H5BHg and a molecular weight of 288.51 g/mol. Its IUPAC name is phenylboranylidenemercury.

Molecular Properties

Compound Namephenylboranylidenemercury
PubChem CID14032138
Molecular FormulaC6H5BHg
Molecular Weight288.51 g/mol
Exact Mass290.02
IUPAC Namephenylboranylidenemercury
SMILES[Hg]=Bc1ccccc1
InChIInChI=1S/C6H5B.Hg/c7-6-4-2-1-3-5-6;/h1-5H;
InChIKeyXDSZLYMZLNJMJA-UHFFFAOYSA-N
XLogP0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 phenylboranylidenemercury?
The IUPAC name of phenylboranylidenemercury (CID 14032138) is phenylboranylidenemercury.
What is the SMILES notation for phenylboranylidenemercury?
The canonical SMILES for phenylboranylidenemercury is [Hg]=Bc1ccccc1.
What is the InChIKey of phenylboranylidenemercury?
The InChIKey is XDSZLYMZLNJMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5B.Hg/c7-6-4-2-1-3-5-6;/h1-5H;.
What are the key properties of phenylboranylidenemercury?
phenylboranylidenemercury has a molecular weight of 288.51 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylboranylidenemercury is sourced from PubChem (CID 14032138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).