(2-fluorophenyl)(3-fluorophenyl)methanone

• ChemBase ID: 9870
• Molecular Formular: C13H8F2O
• Molecular Mass: 218.1988264
• Monoisotopic Mass: 218.05432132
• SMILES: c1ccc(c(c1)C(=O)c1cc(ccc1)F)F
• Canonical SMILES: Fc1cccc(c1)C(=O)c1ccccc1F
• InChI: InChI=1S/C13H8F2O/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h1-8H
• InChIKey: SGTSFZMOEFGUPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)(3-fluorophenyl)methanone
• IUPAC Traditional name: (2-fluorophenyl)(3-fluorophenyl)methanone
• Synonyms: 2,3'-Difluorobenzophenone; 2,3'-Difluorobenzophenone 97%

Database IDs

• CAS Number: 58139-11-0
• MDL Number: MFCD00017914
• PubChem SID: 160973177
• PubChem CID: 143536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7180028
• LogD (pH = 7.4): 3.7180028
• Log P: 3.7180028
• Molar Refractivity: 57.0663 cm^3
• Polarizability: 21.311148 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 142-143°C/3mm; 176-178°C/16mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%