2-(4-nitrophenyl)aniline

• ChemBase ID: 813552
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: Nc1ccccc1c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: Nc1ccccc1c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C12H10N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h1-8H,13H2
• InChIKey: AMBSXARSPPODRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-nitrophenyl)aniline
• IUPAC Traditional name: 2-(4-nitrophenyl)aniline
• Synonyms: 4'-NITRO-BIPHENYL-2-YLAMINE

Database IDs

• CAS Number: 6272-52-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7271726
• LogD (pH = 7.4): 2.7314744
• Log P: 2.7315295
• Molar Refractivity: 62.2151 cm^3
• Polarizability: 24.277964 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%