3-Chloro-4-fluorophenylacetonitrile

• Catalog: OFC658980
• CAS: 658-98-0
• Category: Fluorinated Nitriles
• Purity: 98%
• MDL Number: MFCD01631553

• Molecular Formula: C8H5ClFN
• Molecular Weight: 169.58
• Molar Refractivity: 40.93

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 2.61
• MLogP: 2.79
• SILICOS-IT: 3.18
• WLogP: 2.97
• XLogP3: 2.31
• iLogP: 1.8
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.69 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS07
• Hazard Statements: H302-H312-H332
• Precautionary Statements: P262-P280