| CAS Number | 1379526-99-4 |
| Catalog Number | AG00IU1P(AGN-PC-0WAYWP) |
| Chemical Name | tert-butyl 4-[(2-fluoro-5-nitrophenyl)carbonyl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-fluoro-5-nitrobenzoyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H20FN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-10-11(20(23)24)4-5-13(12)17/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | LWONAYYXJOZYRR-UHFFFAOYSA-N |
| MDL Number | MFCD22373671 |
| Molecular Formula | C16H20FN3O5 |
| Molecular Weight | 353.3455 |
| SMILES | FC2(=C(C(=O)N1(CCN(C(=O)OC(C)(C)C)CC1))C=C([N+](=O)[O-])C=C2) |
| Synonyms | 1379526-99-4,
tert-butyl 4-(2-fluoro-5-nitrobenzoyl)piperazine-1-carboxylate,
tert-butyl 4-[(2-fluoro-5-nitrophenyl)carbonyl]piperazine-1-carboxylate,
MFCD22373671,
ZINC72319830,
AKOS015991330,
CG-0717,
MCULE-5646171572,
KS-000023T8,
tert-Butyl 4-[(2-fluoro-5-nitrophenyl)-carbonyl]piperazine-1-carboxylate,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.35g/mol |
| Monoisotopic Mass | 353.139g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number