4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulphonate

• Catalog: OFC680211749
• CAS: 680211-74-9
• Category: Fluorinated Thiophenes
• MDL Number: MFCD00097213

• IUPAC Name: [4-(trifluoromethyl)phenyl] 5-chloro-4-nitrothiophene-2-sulfonate
• InChI: InChI=1S/C11H5ClF3NO5S2/c12-10-8(16(17)18)5-9(22-10)23(19,20)21-7-3-1-6(2-4-7)11(13,14)15/h1-5H
• InChI Key: MYRRBYMNTCHGKA-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C(F)(F)F)OS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

• Molecular Formula: C11H5ClF3NO5S2
• Molecular Weight: 387.74

• XLogP3-AA: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 386.9249768 g/mol
• Monoisotopic Mass: 386.9249768 g/mol
• Topological Polar Surface Area: 126Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 539