| CAS Number | 1223432-03-8 |
| Catalog Number | AG00IXHJ(AGN-PC-0WB2FB) |
| Chemical Name | Tert-butyl 4-(3,5-dibromopyridin-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3,5-dibromopyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H19Br2N3O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)12-11(16)8-10(15)9-17-12/h8-9H,4-7H2,1-3H3 |
| InChI Key | NZRLOFXPVBYRCJ-UHFFFAOYSA-N |
| MDL Number | MFCD20921612 |
| Molecular Formula | C14H19Br2N3O2 |
| Molecular Weight | 421.1276 |
| SMILES | [Br]C1(=C(N=CC(=C1)[Br])N2(CCN(C(=O)OC(C)(C)C)CC2)) |
| Synonyms | tert-butyl 4-(3,5-dibromopyridin-2-yl)piperazine-1-carboxylate,
1223432-03-8,
SCHEMBL2366669,
NZRLOFXPVBYRCJ-UHFFFAOYSA-N,
ZX-RL002824,
MFCD20921612,
ZINC71789052,
AKOS015991580,
NF-0714,
RP17230,
KS-000029S6,
OR303594,
trifluoromethyldibromopyridinylpiperazinecarboxylate,
2-[4-(tert-Butoxycarbonyl)piperazino]-3,5-dibromopyridine,
4-(3,5-dibromopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.133g/mol |
| Monoisotopic Mass | 418.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number