| CAS Number | 2089277-25-6 |
| Catalog Number | AG01E8HR |
| Chemical Name | 2-(azetidin-3-yl)quinoxaline bis(trifluoroacetic acid) |
| IUPAC Name | 2-(azetidin-3-yl)quinoxaline;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C11H11N3.2C2HF3O2/c1-2-4-10-9(3-1)13-7-11(14-10)8-5-12-6-8;2*3-2(4,5)1(6)7/h1-4,7-8,12H,5-6H2;2*(H,6,7) |
| InChI Key | BLGVRDICXZNWLX-UHFFFAOYSA-N |
| MDL Number | MFCD30724303 |
| Molecular Formula | C15H13F6N3O4 |
| Molecular Weight | 413.2718 |
| SMILES | OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.C1C(C2=NC3=C(C=CC=C3)N=C2)CN1 |
| Synonyms | 2-(Azetidin-3-yl)quinoxaline; bis(trifluoroacetic acid),
2089277-25-6,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.276g/mol |
| Monoisotopic Mass | 413.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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