| CAS Number | 1373350-60-7 |
| Catalog Number | AG009JMK(AGN-PC-0WP07O) |
| Chemical Name | 1-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-5-bromo-1-(2-fluorophenyl)-2-pentanone (2Z)-2-Butenedioate |
| IUPAC Name | [5-[5-bromo-1-(2-fluorophenyl)-2-oxopentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;(Z)-but-2-enedioic acid |
| InChI | InChI=1S/C20H21BrFNO3S.C4H4O4/c1-13(24)26-19-11-14-12-23(10-8-18(14)27-19)20(17(25)7-4-9-21)15-5-2-3-6-16(15)22;5-3(6)1-2-4(7)8/h2-3,5-6,11,20H,4,7-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChI Key | HRZYHQLLBNRMAI-BTJKTKAUSA-N |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 |
| Synonyms | 1373350-60-7,
1-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-5-bromo-1-(2-fluorophenyl)-2-pentanone (2Z)-2-Butenedioate,
HRZYHQLLBNRMAI-BTJKTKAUSA-N,
|
| Complexity | 656 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 569.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 570.426g/mol |
| Monoisotopic Mass | 569.052g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number