(5-bromo-2-methylphenyl)[5-(4-fluorophenyl)thiophen-2-yl]methanone

• ChemBase ID: 797480
• Molecular Formular: C18H12BrFOS
• Molecular Mass: 375.2546832
• Monoisotopic Mass: 373.97762622
• SMILES: C(=O)(c1sc(cc1)c1ccc(cc1)F)c1c(ccc(c1)Br)C
• Canonical SMILES: Fc1ccc(cc1)c1ccc(s1)C(=O)c1cc(Br)ccc1C
• InChI: InChI=1S/C18H12BrFOS/c1-11-2-5-13(19)10-15(11)18(21)17-9-8-16(22-17)12-3-6-14(20)7-4-12/h2-10H,1H3
• InChIKey: DSNLQVKYUASMTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-methylphenyl)[5-(4-fluorophenyl)thiophen-2-yl]methanone
• IUPAC Traditional name: (5-bromo-2-methylphenyl)[5-(4-fluorophenyl)thiophen-2-yl]methanone
• Synonyms: (5-broMo-2-Methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)Methanone

Database IDs

• CAS Number: 1132832-75-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4142876
• LogD (pH = 7.4): 6.4142876
• Log P: 6.4142876
• Molar Refractivity: 91.3241 cm^3
• Polarizability: 35.717274 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%; 98%