selenol

• ChemBase ID: 108854
• Molecular Formular: C6H5Se
• Molecular Mass: 156.0639
• Monoisotopic Mass: 156.95564616
• SMILES: [Se]c1ccccc1
• Canonical SMILES: [Se]c1ccccc1
• InChI: InChI=1S/C6H5Se/c7-6-4-2-1-3-5-6/h1-5H
• InChIKey: YWBHROUQJYHSOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: selenol
• IUPAC Traditional name: phenyl selenium
• Synonyms: SELENOPHENOL

Database IDs

• CAS Number: 645-96-5
• EC Number: 211-457-2
• PubChem SID: 162094467
• PubChem CID: 6327608

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7495
• LogD (pH = 7.4): 1.7495
• Log P: 1.7495
• Molar Refractivity: 38.5892 cm^3
• Polarizability: 10.620823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• Risk Statements: R:23/25-33
• Safety Statements: S:28-45-20/21

DETAILS

MP Biomedicals - 05208994

MP Biomedicals Rare Chemical collection