2-fluoro-6-iodoaniline

• ChemBase ID: 93737
• Molecular Formular: C6H5FIN
• Molecular Mass: 237.0134732
• Monoisotopic Mass: 236.94507539
• SMILES: Ic1c(c(ccc1)F)N
• Canonical SMILES: Nc1c(F)cccc1I
• InChI: InChI=1S/C6H5FIN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
• InChIKey: KSOZSTHDPDAMKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-iodoaniline
• IUPAC Traditional name: 2-fluoro-6-iodoaniline
• Synonyms: 2-Amino-3-iodofluorobenzene; 2-Fluoro-6-iodoaniline 99%; 2-Fluoro-6-iodoaniline

Database IDs

• CAS Number: 886762-73-8
• MDL Number: MFCD07368681
• PubChem SID: 162080403
• PubChem CID: 2783156

CALCULATED PROPERTIES

• Acid pKa: 16.97983
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2159305
• LogD (pH = 7.4): 2.2159657
• Log P: 2.2159662
• Molar Refractivity: 44.3373 cm^3
• Polarizability: 16.512177 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95+%