3-Cyano-4-fluorobenzoic acid

• Catalog: OFC171050069
• CAS: 171050-06-9
• Category: Fluorinated Carboxylic Acid
• Purity: 97%
• MDL Number: MFCD03094339

• Molecular Formula: C8H4FNO2
• Molecular Weight: 165.12
• Molar Refractivity: 38.07

• Bioavailability Score: 0.56
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 1.44
• MLogP: 1.4
• SILICOS-IT: 1.61
• WLogP: 1.82
• XLogP3: 1.27
• iLogP: 1.12
• BBB Permeant: Yes
• CYP1A2 Inhibitor: No
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -6.41 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.0

• GHS Pictogram: GHS07
• Hazard Statements: H302
• Precautionary Statements: P280-P305+P351+P338