5-chloro-5H-benzo[b]arsindole

• ChemBase ID: 108768
• Molecular Formular: C12H8AsCl
• Molecular Mass: 262.56652
• Monoisotopic Mass: 261.95304894
• SMILES: Cl[As]1c2ccccc2c2ccccc12
• Canonical SMILES: Cl[As]1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C12H8AsCl/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
• InChIKey: XYTQQGPRIVXYTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-5H-benzo[b]arsindole
• IUPAC Traditional name: 5H-dibenzarsenole, 5-chloro-
• Synonyms: DIBENZOARSENOLE CHLORIDE

Database IDs

• CAS Number: 2866-58-2
• PubChem SID: 162095609
• PubChem CID: 3034136

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9767
• LogD (pH = 7.4): 3.9767
• Log P: 3.9767
• Molar Refractivity: 56.1631 cm^3
• Polarizability: 26.1494 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208648

MP Biomedicals Rare Chemical collection