Fluralaner

• Catalog: OFC864731613
• CAS: 864731-61-3
• Category: Fluorinated APIs
• Synonyms: 4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide; Bravecto
• Purity: 98%

• IUPAC Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
• InChI: InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)
• InChI Key: MLBZKOGAMRTSKP-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
• EC Number: 689-035-6

• Molecular Formula: C22H17Cl2F6N3O3
• Molecular Weight: 556.28
• Density: 1.51±0.1 g/cm3 (Predicted)

• XLogP3-AA: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 555.0551158 g/mol
• Monoisotopic Mass: 555.0551158 g/mol
• Topological Polar Surface Area: 79.8Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 846