(5-bromo-2-fluorophenyl)(cyclopropyl)methanone

• ChemBase ID: 291308
• Molecular Formular: C10H8BrFO
• Molecular Mass: 243.0723232
• Monoisotopic Mass: 241.9742551
• SMILES: O=C(c1cc(Br)ccc1F)C1CC1
• Canonical SMILES: O=C(c1cc(Br)ccc1F)C1CC1
• InChI: InChI=1S/C10H8BrFO/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6/h3-6H,1-2H2
• InChIKey: FTLUBYFIQSKOKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-fluorophenyl)(cyclopropyl)methanone
• IUPAC Traditional name: (5-bromo-2-fluorophenyl)(cyclopropyl)methanone
• Synonyms: (5-Bromo-2-fluorophenyl)(cyclopropyl)methanone

Database IDs

• CAS Number: 1222368-75-3
• MDL Number: MFCD18783211
• PubChem SID: 180676839
• PubChem CID: 53405397

CALCULATED PROPERTIES

• Acid pKa: 16.924158
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2221441
• LogD (pH = 7.4): 3.2221441
• Log P: 3.2221441
• Molar Refractivity: 51.6992 cm^3
• Polarizability: 19.614136 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%