4-chloro-3-ethoxyaniline

• ChemBase ID: 290944
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: Nc1ccc(Cl)c(OCC)c1
• Canonical SMILES: CCOc1cc(N)ccc1Cl
• InChI: InChI=1S/C8H10ClNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3
• InChIKey: JQQWIIGQFDFTCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-ethoxyaniline
• IUPAC Traditional name: 4-chloro-3-ethoxyaniline
• Synonyms: 4-Chloro-3-ethoxyaniline

Database IDs

• CAS Number: 852854-42-3
• PubChem SID: 180676475
• PubChem CID: 46738942

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9451466
• LogD (pH = 7.4): 1.9474715
• Log P: 1.9475012
• Molar Refractivity: 46.775 cm^3
• Polarizability: 17.707144 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%