(2-chloro-5-iodophenyl)methanamine hydrochloride

• ChemBase ID: 806524
• Molecular Formular: C7H8Cl2IN
• Molecular Mass: 303.95559
• Monoisotopic Mass: 302.90785262
• SMILES: Cl.C(N)c1c(ccc(c1)I)Cl
• Canonical SMILES: NCc1cc(I)ccc1Cl.Cl
• InChI: InChI=1S/C7H7ClIN.ClH/c8-7-2-1-6(9)3-5(7)4-10;/h1-3H,4,10H2;1H
• InChIKey: MEOOUPOGJHWJHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-iodophenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-chloro-5-iodophenyl)methanamine hydrochloride
• Synonyms: (2-CHLORO-5-IODOPHENYL)METHANAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 793695-88-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.30170122
• LogD (pH = 7.4): 0.92227703
• Log P: 2.6320033
• Molar Refractivity: 52.6987 cm^3
• Polarizability: 20.746723 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%