1-[[2-(2,4-Difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole; methanesulfonic acid

• Catalog: OFC86386778
• CAS: 86386-77-8
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2-[[(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole methanesulfonate
• Purity: 90%
• MDL Number: MFCD11111978

• IUPAC Name: 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acid
• InChI: InChI=1S/C11H9F2N3O.CH4O3S/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16;1-5(2,3)4/h1-3,6-7H,4-5H2;1H3,(H,2,3,4)
• InChI Key: NJBRNNOGZPVNNR-UHFFFAOYSA-N
• Isomeric SMILES: CS(=O)(=O)O.C1C(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
• EC Number: 617-843-0

• Molecular Formula: C12H13F2N3O4S
• Molecular Weight: 333.31

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 333.05948340 g/mol
• Monoisotopic Mass: 333.05948340 g/mol
• Topological Polar Surface Area: 106Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 386