| CAS Number | 1431364-32-7 |
| Catalog Number | AG00HWT6(AGN-PC-0WR1KZ) |
| Chemical Name | cis-tert-butyl 3-(4-nitrophenyl)aziridine-2-carboxylate |
| IUPAC Name | tert-butyl (2R,3R)-3-(4-nitrophenyl)aziridine-2-carboxylate |
| InChI | InChI=1S/C13H16N2O4/c1-13(2,3)19-12(16)11-10(14-11)8-4-6-9(7-5-8)15(17)18/h4-7,10-11,14H,1-3H3/t10-,11-/m1/s1 |
| InChI Key | JXJGFVMVUVDWNV-GHMZBOCLSA-N |
| MDL Number | MFCD24368289 |
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.2771 |
| SMILES | O=C([C@@H]1N[C@@H]1c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C |
| Synonyms | cis-tert-butyl 3-(4-nitrophenyl)aziridine-2-carboxylate,
1431364-32-7,
MFCD24368289,
ZINC95644404,
OR307704,
T6392,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.281g/mol |
| Monoisotopic Mass | 264.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number