| CAS Number | 1221792-73-9 |
| Catalog Number | AG00IRTM(AGN-PC-0WAY8S) |
| Chemical Name | tert-Butyl 4-(5-bromo-3-nitro-2-pyridinyl)tetrahydro-1(2h)-pyrazinecarboxylate |
| IUPAC Name | tert-butyl 4-(5-bromo-3-nitropyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H19BrN4O4/c1-14(2,3)23-13(20)18-6-4-17(5-7-18)12-11(19(21)22)8-10(15)9-16-12/h8-9H,4-7H2,1-3H3 |
| InChI Key | JKMCDPYFBNSYTM-UHFFFAOYSA-N |
| MDL Number | MFCD16140319 |
| Molecular Formula | C14H19BrN4O4 |
| Molecular Weight | 387.2291 |
| SMILES | [Br]C2(=CN=C(N1(CCN(C(=O)OC(C)(C)C)CC1))C(=C2)[N+](=O)[O-]) |
| Synonyms | 1221792-73-9,
tert-butyl 4-(5-bromo-3-nitropyridin-2-yl)piperazine-1-carboxylate,
tert-butyl 4-(5-bromo-3-nitro-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate,
TERT-BUTYL 4-(5-BROMO-3-NITRO-2-PYRIDINYL)-TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE,
CTK5I8851,
KS-000022WD,
MFCD16140319,
ZINC43827701,
AKOS005071971,
BE-0214,
RP17140,
AJ-108869,
TR-071082,
tertbutylbromonitropyridinyltetrahydropyrazinecarboxylate,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.234g/mol |
| Monoisotopic Mass | 386.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number