3-chloro-2-ethoxyaniline

• ChemBase ID: 307998
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: c1(c(N)cccc1Cl)OCC
• Canonical SMILES: CCOc1c(N)cccc1Cl
• InChI: InChI=1S/C8H10ClNO/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: LOPNTHRAMSRCGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-ethoxyaniline
• IUPAC Traditional name: 3-chloro-2-ethoxyaniline
• Synonyms: (3-chloro-2-ethoxyphenyl)amine

Database IDs

• CAS Number: 53689-24-0
• MDL Number: MFCD08687288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9416991
• LogD (pH = 7.4): 1.9474277
• Log P: 1.9475012
• Molar Refractivity: 46.775 cm^3
• Polarizability: 17.720495 Å^3
• Polar Surface Area: 35.25 Å^2