2,3-diiodonaphthalene

• ChemBase ID: 15948
• Molecular Formular: C10H6I2
• Molecular Mass: 379.96358
• Monoisotopic Mass: 379.85589619
• SMILES: c1ccc2c(c1)cc(c(c2)I)I
• Canonical SMILES: Ic1cc2ccccc2cc1I
• InChI: InChI=1S/C10H6I2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
• InChIKey: FFWAIAGCHIYVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diiodonaphthalene
• IUPAC Traditional name: 2,3-diiodonaphthalene
• Synonyms: 2,3-Diiodonaphthalene

Database IDs

• CAS Number: 13214-70-5
• MDL Number: MFCD06656514
• PubChem SID: 160979255
• PubChem CID: 10937756

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8206115
• LogD (pH = 7.4): 4.8206115
• Log P: 4.8206115
• Molar Refractivity: 69.2332 cm^3
• Polarizability: 28.059654 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%