(E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene

• Catalog: OFC115665968
• CAS: 115665-96-8
• Category: Fluoroalkenes
• Purity: 97%
• MDL Number: MFCD00176733

• Molecular Formula: C9H6F3NO2
• Molecular Weight: 217.14
• Molar Refractivity: 49.64

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 0.0
• Veber: 0.0
• Consensus LogP: 2.48
• MLogP: 2.21
• SILICOS-IT: 1.21
• WLogP: 4.0
• XLogP3: 3.18
• iLogP: 1.79
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: Yes
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.37 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.11

• GHS Pictogram: GHS07; GHS08
• Hazard Statements: H302-H319-H334-H412
• Packing Group: Ⅲ
• Precautionary Statements: P261-P264-P270-P273-P280-P284-P301+P312+P330-P304+P340-P305+P351+P338-P337+P313-P342+P311-P501