4-(4-(Quinolin-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol

• Catalog: OFC117561894
• CAS: 117561-89-4
• Category: Fluorinated Quinolines
• Synonyms: 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
• Purity: 97%

• IUPAC Name: 4-[4-quinolin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
• InChI: InChI=1S/C19H12F3N3O2/c20-19(21,22)18-16(14-8-5-10-3-1-2-4-13(10)23-14)17(24-25-18)12-7-6-11(26)9-15(12)27/h1-9,26-27H,(H,24,25)
• InChI Key: AGFZLLAWQHQSQB-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=C(NN=C3C4=C(C=C(C=C4)O)O)C(F)(F)F

• Molecular Formula: C19H12F3N3O2
• Molecular Weight: 371.32

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 371.08816112 g/mol
• Monoisotopic Mass: 371.08816112 g/mol
• Topological Polar Surface Area: 82Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 521