2-(4-fluorophenoxy)aniline

• ChemBase ID: 307013
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(Oc2ccc(F)cc2)c(N)cccc1
• Canonical SMILES: Fc1ccc(cc1)Oc1ccccc1N
• InChI: InChI=1S/C12H10FNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2
• InChIKey: HTUQBFIJDVYEBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxy)aniline
• IUPAC Traditional name: 2-(4-fluorophenoxy)aniline
• Synonyms: 2-(4-fluorophenoxy)aniline

Database IDs

• CAS Number: 3169-71-9
• MDL Number: MFCD04970989

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.786334
• LogD (pH = 7.4): 2.7872968
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.446287 Å^3
• Polar Surface Area: 35.25 Å^2