AC1NQKI7
[2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate|2-(2,5-Difluoroanilino)-2-oxoethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CAS: 5682-55-3
| Molecular Formula | C17H15F2NO3S |
|---|---|
| Molecular Weight | 351.07407 g/mol |
| LogP | 3.7006 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07407 |
| Monoisotopic Mass | 351.07407 |
| Heavy Atoms | 24 |
| Complexity | 764.638 |
Chemical Identifiers
| CAS Number | 5682-55-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)F)F |
Product Overview
AC1NQKI7 (CAS 5682-55-3), with molecular formula C17H15F2NO3S and molecular weight 351.07407 g/mol. IUPAC: [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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