| CAS Number | 1909335-95-0 |
| Catalog Number | AG01C51Z |
| Chemical Name | 1-(azetidin-3-yl)azetidine, bis(trifluoroacetic acid) |
| IUPAC Name | 1-(azetidin-3-yl)azetidine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C6H12N2.2C2HF3O2/c1-2-8(3-1)6-4-7-5-6;2*3-2(4,5)1(6)7/h6-7H,1-5H2;2*(H,6,7) |
| InChI Key | YIAHMWBONZOCGI-UHFFFAOYSA-N |
| MDL Number | MFCD18839202 |
| Molecular Formula | C10H14F6N2O4 |
| Molecular Weight | 340.2196 |
| SMILES | N1CC(C1)N1CCC1.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F |
| Synonyms | 1-(azetidin-3-yl)azetidine, bis(trifluoroacetic acid),
1909335-95-0,
1-(azetidin-3-yl)azetidine; bis(trifluoroacetic acid),
1-(azetidin-3-yl)azetidine ditrifluoroacetate,
1,3'-BIAZETIDINE; BIS(TRIFLUOROACETIC ACID),
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.222g/mol |
| Monoisotopic Mass | 340.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number