(3-chlorophenyl)(3-fluoro-4-methoxyphenyl)methanone

• ChemBase ID: 100715
• Molecular Formular: C14H10ClFO2
• Molecular Mass: 264.6794032
• Monoisotopic Mass: 264.03533546
• SMILES: Clc1cccc(c1)C(=O)c1ccc(c(c1)F)OC
• Canonical SMILES: COc1ccc(cc1F)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C14H10ClFO2/c1-18-13-6-5-10(8-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8H,1H3
• InChIKey: XGOOUTNTLVAOCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(3-fluoro-4-methoxyphenyl)methanone
• IUPAC Traditional name: (3-chlorophenyl)(3-fluoro-4-methoxyphenyl)methanone
• Synonyms: 3-Chloro-3'-fluoro-4'-methoxybenzophenone 97%

Database IDs

• MDL Number: MFCD06201494
• PubChem SID: 162086681
• PubChem CID: 2757551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.021674
• LogD (pH = 7.4): 4.021674
• Log P: 4.021674
• Molar Refractivity: 68.1179 cm^3
• Polarizability: 26.043097 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant