3,5-dichloro-4-(4-methoxyphenoxy)aniline

• ChemBase ID: 796227
• Molecular Formular: C13H11Cl2NO2
• Molecular Mass: 284.13794
• Monoisotopic Mass: 283.01668396
• SMILES: Nc1cc(c(c(c1)Cl)Oc1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)N
• InChI: InChI=1S/C13H11Cl2NO2/c1-17-9-2-4-10(5-3-9)18-13-11(14)6-8(16)7-12(13)15/h2-7H,16H2,1H3
• InChIKey: ARQWRBYTJWEFIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-(4-methoxyphenoxy)aniline
• IUPAC Traditional name: 3,5-dichloro-4-(4-methoxyphenoxy)aniline
• Synonyms: 3,5-dichloro-4-(4-methoxyphenoxy)aniline

Database IDs

• CAS Number: 60963-18-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6937811
• LogD (pH = 7.4): 3.6950095
• Log P: 3.6950252
• Molar Refractivity: 73.072 cm^3
• Polarizability: 28.121664 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%