(3,4-dichlorophenyl)(4-nitrophenyl)methanone

• ChemBase ID: 311573
• Molecular Formular: C13H7Cl2NO3
• Molecular Mass: 296.10558
• Monoisotopic Mass: 294.98029845
• SMILES: [N+](=O)(c1ccc(C(=O)c2cc(c(cc2)Cl)Cl)cc1)[O-]
• Canonical SMILES: O=C(c1ccc(c(c1)Cl)Cl)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C13H7Cl2NO3/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(5-2-8)16(18)19/h1-7H
• InChIKey: IFGAYPOJJFHTSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dichlorophenyl)(4-nitrophenyl)methanone
• IUPAC Traditional name: (3,4-dichlorophenyl)(4-nitrophenyl)methanone
• Synonyms: (3,4-dichlorophenyl)(4-nitrophenyl)methanone

Database IDs

• CAS Number: 26189-47-9
• MDL Number: MFCD02920438

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5806723
• LogD (pH = 7.4): 4.5806723
• Log P: 4.5806723
• Molar Refractivity: 72.5636 cm^3
• Polarizability: 27.685665 Å^3
• Polar Surface Area: 60.21 Å^2