Phenylborane

C6H5B — CID 11680442

IUPAC—
SMILES[B]c1ccccc1
InChIInChI=1S/C6H5B/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyXPPWLXNXHSNMKC-UHFFFAOYSA-N
MW87.92 g/mol
LogP0.48
Rot. Bonds

About Phenylborane

Phenylborane (PubChem CID 11680442) has the molecular formula C6H5B and a molecular weight of 87.92 g/mol.

Molecular Properties

Compound NamePhenylborane
PubChem CID11680442
Molecular FormulaC6H5B
Molecular Weight87.92 g/mol
Exact Mass88.05
IUPAC Name—
SMILES[B]c1ccccc1
InChIInChI=1S/C6H5B/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyXPPWLXNXHSNMKC-UHFFFAOYSA-N
XLogP0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.92
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 Phenylborane?
The IUPAC name of Phenylborane (CID 11680442) is not available.
What is the SMILES notation for Phenylborane?
The canonical SMILES for Phenylborane is [B]c1ccccc1.
What is the InChIKey of Phenylborane?
The InChIKey is XPPWLXNXHSNMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5B/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of Phenylborane?
Phenylborane has a molecular weight of 87.92 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Phenylborane is sourced from PubChem (CID 11680442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).