3-(2-chloroethoxy)aniline

• ChemBase ID: 308268
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: c1c(N)cccc1OCCCl
• Canonical SMILES: ClCCOc1cccc(c1)N
• InChI: InChI=1S/C8H10ClNO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5,10H2
• InChIKey: DXXPALPCLCHBSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chloroethoxy)aniline
• IUPAC Traditional name: 3-(2-chloroethoxy)aniline
• Synonyms: 3-(2-chloroethoxy)aniline

Database IDs

• CAS Number: 178910-32-2
• MDL Number: MFCD09971295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6429579
• LogD (pH = 7.4): 1.6510345
• Log P: 1.6511384
• Molar Refractivity: 46.5649 cm^3
• Polarizability: 17.653662 Å^3
• Polar Surface Area: 35.25 Å^2