| CAS Number | 1416307-75-9 |
| Catalog Number | AG00HW4F(AGN-PC-0WR1PB) |
| Chemical Name | trans-tert-butyl 3-(4-chlorophenyl)aziridine-2-carboxylate |
| IUPAC Name | tert-butyl (2S,3R)-3-(4-chlorophenyl)aziridine-2-carboxylate |
| InChI | InChI=1S/C13H16ClNO2/c1-13(2,3)17-12(16)11-10(15-11)8-4-6-9(14)7-5-8/h4-7,10-11,15H,1-3H3/t10-,11+/m1/s1 |
| InChI Key | LOHPPIKSCADHAL-MNOVXSKESA-N |
| MDL Number | MFCD24368284 |
| Molecular Formula | C13H16ClNO2 |
| Molecular Weight | 253.7246 |
| SMILES | O=C([C@H]1N[C@@H]1c1ccc(cc1)Cl)OC(C)(C)C |
| Synonyms | trans-tert-butyl 3-(4-chlorophenyl)aziridine-2-carboxylate,
1416307-75-9,
MFCD24368284,
ZINC95644399,
T6387,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.726g/mol |
| Monoisotopic Mass | 253.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number