| CAS Number | 53823-46-4 |
| Catalog Number | AG003AR6(AGN-PC-0OBYMG) |
| Chemical Name | N-(5-amino-2,4-dimethylphenyl)-1,1,1-trifluoromethanesulfonamide |
| IUPAC Name | N-(5-amino-2,4-dimethylphenyl)-1,1,1-trifluoromethanesulfonamide |
| InChI | InChI=1S/C9H11F3N2O2S/c1-5-3-6(2)8(4-7(5)13)14-17(15,16)9(10,11)12/h3-4,14H,13H2,1-2H3 |
| InChI Key | MVVQDQQIFUIPRT-UHFFFAOYSA-N |
| MDL Number | MFCD32206402 |
| Molecular Formula | C9H11F3N2O2S |
| Molecular Weight | 268.2560 |
| SMILES | O=S(C(F)(F)F)(NC1=CC(N)=C(C)C=C1C)=O |
| Synonyms | METHANESULFONAMIDE,N-(5-AMINO-2,4-DIMETHYLPHENYL)-1,1,1-TRIFLUORO-,
53823-46-4,
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| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.254g/mol |
| Monoisotopic Mass | 268.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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