5-iodo-1,2-dihydroacenaphthylene

• ChemBase ID: 84645
• Molecular Formular: C12H9I
• Molecular Mass: 280.10433
• Monoisotopic Mass: 279.97489829
• SMILES: Ic1ccc2c3c(cccc13)CC2
• Canonical SMILES: Ic1ccc2c3c1cccc3CC2
• InChI: InChI=1S/C12H9I/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
• InChIKey: UBYOMLSMSGFXOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-1,2-dihydroacenaphthylene
• IUPAC Traditional name: 5-iodo-1,2-dihydroacenaphthylene
• Synonyms: 5-iodo-1,2-dihydroacenaphthylene

Database IDs

• CAS Number: 6861-64-9
• MDL Number: MFCD00275570
• PubChem SID: 162071761
• PubChem CID: 624428

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.454784
• LogD (pH = 7.4): 4.454784
• Log P: 4.454784
• Molar Refractivity: 64.1509 cm^3
• Polarizability: 25.560436 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true