(2,5-difluorophenyl)(3-nitrophenyl)methanone

• ChemBase ID: 289990
• Molecular Formular: C13H7F2NO3
• Molecular Mass: 263.1963864
• Monoisotopic Mass: 263.03939953
• SMILES: O=C(c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1
• Canonical SMILES: Fc1ccc(c(c1)C(=O)c1cccc(c1)[N+](=O)[O-])F
• InChI: InChI=1S/C13H7F2NO3/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(6-8)16(18)19/h1-7H
• InChIKey: CKBZMBPBJXHJTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-difluorophenyl)(3-nitrophenyl)methanone
• IUPAC Traditional name: (2,5-difluorophenyl)(3-nitrophenyl)methanone
• Synonyms: (2,5-Difluorophenyl)(3-nitrophenyl)methanone

Database IDs

• CAS Number: 1193512-72-9
• PubChem SID: 180675521
• PubChem CID: 58460937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6579869
• LogD (pH = 7.4): 3.6579869
• Log P: 3.6579869
• Molar Refractivity: 63.3868 cm^3
• Polarizability: 23.316673 Å^3
• Polar Surface Area: 60.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%