| CAS Number | 1420800-23-2 |
| Catalog Number | AG009WQU(AGN-PC-0WAEON) |
| Chemical Name | N-Pivaloyl 4,6-Dibromo-3-fluoro-2-nitroaniline |
| IUPAC Name | N-(4,6-dibromo-3-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide |
| InChI | InChI=1S/C11H11Br2FN2O3/c1-11(2,3)10(17)15-8-6(13)4-5(12)7(14)9(8)16(18)19/h4H,1-3H3,(H,15,17) |
| InChI Key | JJFQZNJDTGASIG-UHFFFAOYSA-N |
| MDL Number | MFCD22689086 |
| Molecular Formula | C11H11Br2FN2O3 |
| Molecular Weight | 398.0230 |
| SMILES | O=C(C(C)(C)C)Nc1c(Br)cc(c(c1[N+](=O)[O-])F)Br |
| Synonyms | N-Pivaloyl 4,6-Dibromo-3-fluoro-2-nitroaniline,
1420800-23-2,
C11H11Br2FN2O3,
KM3588,
ZINC95217862,
V3147,
N-(4,6-DIBROMO-3-FLUORO-2-NITROPHENYL)-2,2-DIMETHYLPROPANAMIDE,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.026g/mol |
| Monoisotopic Mass | 395.912g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number