2-(4-Bromo-2-fluorophenyl)acetonitrile

• Catalog: OFC114897915-2
• CAS: 114897-91-5
• Category: Fluorinated Nitriles
• Purity: 98%
• MDL Number: MFCD07368653

• Molecular Formula: C8H5BrFN
• Molecular Weight: 214.03
• Molar Refractivity: 43.62

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 2.71
• MLogP: 2.94
• SILICOS-IT: 3.22
• WLogP: 3.07
• XLogP3: 2.37
• iLogP: 1.97
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.92 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS07
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338