(4-fluorophenyl)(4-nitrophenyl)methanone

• ChemBase ID: 97085
• Molecular Formular: C13H8FNO3
• Molecular Mass: 245.2059232
• Monoisotopic Mass: 245.04882134
• SMILES: Fc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C13H8FNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H
• InChIKey: ICDAYOOBGHYICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(4-nitrophenyl)methanone
• IUPAC Traditional name: (4-fluorophenyl)(4-nitrophenyl)methanone
• Synonyms: (4-fluorophenyl)(4-nitrophenyl)methanone; 4-Fluoro-4'-nitrobenzophenone 98%

Database IDs

• CAS Number: 2195-47-3
• MDL Number: MFCD00053428
• PubChem SID: 162083709
• PubChem CID: 97658

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.515285
• LogD (pH = 7.4): 3.515285
• Log P: 3.515285
• Molar Refractivity: 64.1746 cm^3
• Polarizability: 23.54072 Å^3
• Polar Surface Area: 62.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%