2-[3-[(5,7-Difluoro-1,3-Benzothiazol-2-Yl)Methyl]-5,6-Dimethyl-4-Oxo-2,3-Dihydropyridazin-1-Yl]Acetic Acid
[CAS# 140926-46-1]

Identification

• Name: 2-[3-[(5,7-Difluoro-1,3-Benzothiazol-2-Yl)Methyl]-5,6-Dimethyl-4-Oxo-2,3-Dihydropyridazin-1-Yl]Acetic Acid
• Synonyms: 2-[3-[(5,7-Difluoro-1,3-Benzothiazol-2-Yl)Methyl]-4-Keto-5,6-Dimethyl-2,3-Dihydropyridazin-1-Yl]Acetic Acid; 2-[3-[(5,7-Difluoro-1,3-Benzothiazol-2-Yl)Methyl]-5,6-Dimethyl-4-Oxo-2,3-Dihydropyridazin-1-Yl]Ethanoic Acid; 3,4-Dihydro-4-Oxo-5,6-Dimethyl-3-((5,7-Difluorobenzothiazol-2-Yl)Methyl)-1-Pyridazineacetic Acid
• Molecular Formula: C₁₆H₁₅F₂N₃O₃S
• Molecular Weight: 367.37
• CAS Registry Number: 140926-46-1
• SMILES: C3=C2N=C(CC1C(C(=C(N(N1)CC(=O)O)C)C)=O)SC2=C(C=C3F)F
• InChI: 1S/C16H15F2N3O3S/c1-7-8(2)21(6-14(22)23)20-11(15(7)24)5-13-19-12-4-9(17)3-10(18)16(12)25-13/h3-4,11,20H,5-6H2,1-2H3,(H,22,23)
• InChIKey: FGKJKXHYFUBOEW-UHFFFAOYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 533.482°C at 760 mmHg (Cal.)
• Flash point: 276.44°C (Cal.)