5-[5-(Trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulphonyl chloride

• Catalog: OFC229956983-2
• CAS: 229956-98-3
• Category: Fluorinated Thiophenes
• Synonyms: 3-[5-(Chlorosulphonyl)thien-2-yl]-5-(trifluoromethyl)isoxazole; 2-(Chlorosulphonyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene
• Purity: 97%
• MDL Number: MFCD00831001

• IUPAC Name: 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonyl chloride
• InChI: InChI=1S/C8H3ClF3NO3S2/c9-18(14,15)7-2-1-5(17-7)4-3-6(16-13-4)8(10,11)12/h1-3H
• InChI Key: TWGONVLMWWEOFL-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(SC(=C1)S(=O)(=O)Cl)C2=NOC(=C2)C(F)(F)F

• Molecular Formula: C8H3ClF3NO3S2
• Molecular Weight: 317.69
• Melting Point: 106-111 °C

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 316.9194975 g/mol
• Monoisotopic Mass: 316.9194975 g/mol
• Topological Polar Surface Area: 96.8Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 411