4-chloro-2-ethoxyaniline

• ChemBase ID: 237948
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: c1(cc(ccc1N)Cl)OCC
• Canonical SMILES: CCOc1cc(Cl)ccc1N
• InChI: InChI=1S/C8H10ClNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: MOJMJIHMADVVCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-ethoxyaniline
• IUPAC Traditional name: 4-chloro-2-ethoxyaniline
• Synonyms: 4-chloro-2-ethoxyaniline

Database IDs

• MDL Number: MFCD16732082
• PubChem SID: 164293858
• PubChem CID: 7213334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9426028
• LogD (pH = 7.4): 1.9474392
• Log P: 1.9475012
• Molar Refractivity: 46.775 cm^3
• Polarizability: 17.691093 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.638

Product Information

• Purity: 95%