| CAS Number | 880384-52-1 |
| Catalog Number | AG00GUB7(AGN-PC-0VIIKA) |
| Chemical Name | Imidodicarbonic acid, (2-bromo-4-fluoro-6-nitrophenyl)-, bis(1,1-dimethylethyl) ester |
| IUPAC Name | tert-butyl N-(2-bromo-4-fluoro-6-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C16H20BrFN2O6/c1-15(2,3)25-13(21)19(14(22)26-16(4,5)6)12-10(17)7-9(18)8-11(12)20(23)24/h7-8H,1-6H3 |
| InChI Key | AQZOSVGQCGBEPO-UHFFFAOYSA-N |
| MDL Number | MFCD29472568 |
| Molecular Formula | C16H20BrFN2O6 |
| Molecular Weight | 435.2422 |
| SMILES | Fc1cc(Br)c(c(c1)[N+](=O)[O-])N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | Imidodicarbonic acid, (2-bromo-4-fluoro-6-nitrophenyl)-, bis(1,1-dimethylethyl) ester,
880384-52-1,
CS-B1113,
ZINC521840098,
Imidodicarbonic acid, 2-(2-bromo-4-fluoro-6-nitrophenyl)-, 1,3-bis(1,1-dimethylethyl) ester,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 434.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 435.246g/mol |
| Monoisotopic Mass | 434.049g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number