| CAS Number | 1056024-38-4 |
| Catalog Number | AG0096VJ(AGN-PC-0WQYCK) |
| Chemical Name | tert-butyl3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H18N4O4/c1-12(2,3)20-11(17)14-5-4-9(7-14)15-8-10(6-13-15)16(18)19/h6,8-9H,4-5,7H2,1-3H3 |
| InChI Key | VYHFLIFNGPQXEV-UHFFFAOYSA-N |
| MDL Number | MFCD14155812 |
| Molecular Formula | C12H18N4O4 |
| Molecular Weight | 282.2957 |
| SMILES | [N+](=O)([O-])C=1C=NN(C1)C1CN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1056024-38-4,
tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate,
SCHEMBL15192197,
VYHFLIFNGPQXEV-UHFFFAOYSA-N,
tert-butyl3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate,
MFCD14155812,
AKOS027343174,
DA-15922,
FT-0710400,
K-0505,
tert-butyl-3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.3g/mol |
| Monoisotopic Mass | 282.133g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number