| CAS Number | 874814-94-5 |
| Catalog Number | AG00IEMO(AGN-PC-0WCE20) |
| Chemical Name | tert-Butyl 4-(4-fluoro-2-nitrophenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-fluoro-2-nitrophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H20FN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)12-5-4-11(16)10-13(12)19(21)22/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | VQQDLDPXBVJQDP-UHFFFAOYSA-N |
| MDL Number | MFCD06408840 |
| Molecular Formula | C15H20FN3O4 |
| Molecular Weight | 325.3354 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=C(C=C(F)C=C1)[N+]([O-])=O |
| Synonyms | 874814-94-5,
tert-Butyl 4-(4-fluoro-2-nitrophenyl)piperazine-1-carboxylate,
tert-Butyl 4-(4-fluoro-2-nitrophenyl)-piperazine-1-carboxylate,
SCHEMBL13156273,
MFCD06408840,
ZINC67800464,
AKOS008364584,
KS-5420,
1-Boc-4-(4-Fluoro-2-nitrophenyl)piperazine, 97%,
1-BOC-4-(4-FLRO-2-NTROPHENL)PIPERAZIN 1G,
1-BOC-4-(4-FLRO-2-NTROPHENL)PIPERAZIN 5G,
1-Boc-4-(4-fluoro-2-nitrophenyl)piperazine =97%,
1-BOC-4-(4-FLRO-2-NTROPHENL)PIPERA 250MG,
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| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.143784g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.34g/mol |
| Monoisotopic Mass | 325.143784g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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