| CAS Number | 1420800-43-6 |
| Catalog Number | AG00HWAV(AGN-PC-0WAEOO) |
| Chemical Name | N-Pivaloyl 4-bromo-3-fluoro-2-nitroaniline |
| IUPAC Name | N-(4-bromo-3-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide |
| InChI | InChI=1S/C11H12BrFN2O3/c1-11(2,3)10(16)14-7-5-4-6(12)8(13)9(7)15(17)18/h4-5H,1-3H3,(H,14,16) |
| InChI Key | QARADCBYASWAGY-UHFFFAOYSA-N |
| MDL Number | MFCD22689087 |
| Molecular Formula | C11H12BrFN2O3 |
| Molecular Weight | 319.1270 |
| SMILES | O=C(C(C)(C)C)Nc1ccc(c(c1[N+](=O)[O-])F)Br |
| Synonyms | N-Pivaloyl 4-bromo-3-fluoro-2-nitroaniline,
1420800-43-6,
C11H12BrFN2O3,
KM3589,
ZINC95217864,
AKOS026673343,
V3164,
N-(4-BROMO-3-FLUORO-2-NITROPHENYL)-2,2-DIMETHYLPROPANAMIDE,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.13g/mol |
| Monoisotopic Mass | 318.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number