1H-arsole

• ChemBase ID: 125945
• Molecular Formular: C4H5As
• Molecular Mass: 128.0041
• Monoisotopic Mass: 127.96072116
• SMILES: [AsH]1C=CC=C1
• Canonical SMILES: [AsH]1C=CC=C1
• InChI: InChI=1S/C4H5As/c1-2-4-5-3-1/h1-5H
• InChIKey: NXHAKHHKDBVHPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-arsole
• IUPAC Systematic name: 1H-Arsole
• IUPAC Traditional name: arsole
• Synonyms: Arsenole; Arsacyclopentadiene; Arsole

Database IDs

• CAS Number: 287-77-4
• PubChem SID: 162220288
• PubChem CID: 6398625
• CHEBI ID: 33131
• Chemspider ID: 16787685
• Wikipedia Title: Arsole

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.892
• LogD (pH = 7.4): 0.892
• Log P: 0.892
• Molar Refractivity: 20.1074 cm^3
• Polarizability: 10.772613 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true