2-Nitro-4-trifluoromethyl-benzoyl chloride

• Catalog: OFC81108818-1
• CAS: 81108-81-8
• Category: Fluorinated Acyl Chlorides
• Purity: 95%
• MDL Number: MFCD07777203

• Molecular Formula: C8H3ClF3NO3
• Molecular Weight: 253.56
• Molar Refractivity: 50.45

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 0.0
• Veber: 0.0
• Consensus LogP: 2.28
• MLogP: 1.89
• SILICOS-IT: 1.3
• WLogP: 4.14
• XLogP3: 2.65
• iLogP: 1.42
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: Yes
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.97 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS05
• Hazard Statements: H314
• Packing Group: Ⅲ
• Precautionary Statements: P280-P305+P351+P338-P310