(2-chloro-5-nitrophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 311672
• Molecular Formular: C14H10ClNO4
• Molecular Mass: 291.6865
• Monoisotopic Mass: 291.02983549
• SMILES: [N+](=O)(c1cc(C(=O)c2ccc(cc2)OC)c(cc1)Cl)[O-]
• Canonical SMILES: COc1ccc(cc1)C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
• InChI: InChI=1S/C14H10ClNO4/c1-20-11-5-2-9(3-6-11)14(17)12-8-10(16(18)19)4-7-13(12)15/h2-8H,1H3
• InChIKey: XOLMZHQBAOKBSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-nitrophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (2-chloro-5-nitrophenyl)(4-methoxyphenyl)methanone
• Synonyms: (2-chloro-5-nitrophenyl)(4-methoxyphenyl)methanone

Database IDs

• CAS Number: 70132-87-5
• MDL Number: MFCD02923676

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8189564
• LogD (pH = 7.4): 3.8189564
• Log P: 3.8189564
• Molar Refractivity: 74.222 cm^3
• Polarizability: 28.292711 Å^3
• Polar Surface Area: 69.44 Å^2