4-Chloro-3-(trifluoromethyl)benzonitrile

• Catalog: OFC1735542
• CAS: 1735-54-2
• Category: Fluorinated Nitriles
• Purity: 98%
• MDL Number: MFCD00190117

• Molecular Formula: C8H3ClF3N
• Molecular Weight: 205.56
• Molar Refractivity: 41.17

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 3.35
• MLogP: 3.08
• SILICOS-IT: 3.46
• WLogP: 4.38
• XLogP3: 3.87
• iLogP: 1.93
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -4.81 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS06
• Hazard Statements: H301-H315-H319
• Packing Group: Ⅲ
• Precautionary Statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405