4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride

• Catalog: OFC942199599
• CAS: 942199-59-9
• Category: Fluorinated Nitriles
• Purity: 95%
• MDL Number: MFCD16041567

• Molecular Formula: C8H3ClF3NO2S
• Molecular Weight: 269.63
• Molar Refractivity: 49.24

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 0.0
• Veber: 0.0
• Consensus LogP: 2.63
• MLogP: 1.92
• SILICOS-IT: 2.41
• WLogP: 4.74
• XLogP3: 2.55
• iLogP: 1.54
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: Yes
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -6.13 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS05
• Hazard Statements: H314
• Packing Group: Ⅲ
• Precautionary Statements: P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310