phosphinine

• ChemBase ID: 130277
• Molecular Formular: C5H5P
• Molecular Mass: 96.066961
• Monoisotopic Mass: 96.01288679
• SMILES: C1=CC=PC=C1
• Canonical SMILES: C1=CC=CP=C1
• InChI: InChI=1S/C5H5P/c1-2-4-6-5-3-1/h1-5H
• InChIKey: UNQNIRQQBJCMQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphinine
• IUPAC Systematic name: Phosphinine
• IUPAC Traditional name: phosphorine
• Synonyms: Phosphabenzene; Phosphorine

Database IDs

• CAS Number: 289-68-9
• PubChem SID: 162224556
• PubChem CID: 123046
• Chemspider ID: 109668
• MeSH Name: Phosphinine
• Wikipedia Title: Phosphorine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6371
• LogD (pH = 7.4): 1.6371
• Log P: 1.6371
• Molar Refractivity: 26.951 cm^3
• Polarizability: 10.951797 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true