(2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone

• ChemBase ID: 311722
• Molecular Formular: C15H12ClNO3
• Molecular Mass: 289.71368
• Monoisotopic Mass: 289.05057093
• SMILES: [N+](=O)(c1cc(C(=O)c2cc(c(cc2)C)C)c(cc1)Cl)[O-]
• Canonical SMILES: Clc1ccc(cc1C(=O)c1ccc(c(c1)C)C)[N+](=O)[O-]
• InChI: InChI=1S/C15H12ClNO3/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(17(19)20)5-6-14(13)16/h3-8H,1-2H3
• InChIKey: HLJXEMOQJQKXRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone
• IUPAC Traditional name: (2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone
• Synonyms: (2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone

Database IDs

• CAS Number: 70132-77-3
• MDL Number: MFCD03140501

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0034704
• LogD (pH = 7.4): 5.0034704
• Log P: 5.0034704
• Molar Refractivity: 77.8412 cm^3
• Polarizability: 29.267488 Å^3
• Polar Surface Area: 60.21 Å^2