| CAS Number | 1309208-83-0 |
| Catalog Number | AG01BHMI(AGN-PC-0WOSVJ) |
| Chemical Name | 1-(azetidin-3-yl)ethan-1-one trifluoroacetic acid |
| IUPAC Name | 1-(azetidin-3-yl)ethanone;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H9NO.C2HF3O2/c1-4(7)5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-3H2,1H3;(H,6,7) |
| InChI Key | PJMDMFFDGCWHJN-UHFFFAOYSA-N |
| MDL Number | MFCD28246274 |
| Molecular Formula | C7H10F3NO3 |
| Molecular Weight | 213.1544 |
| SMILES | CC(C1CNC1)=O.OC(C(F)(F)F)=O |
| Synonyms | 1309208-83-0,
1-(azetidin-3-yl)ethan-1-one; trifluoroacetic acid,
1-Azetidin-3-yl-ethanone TFA,
PJMDMFFDGCWHJN-UHFFFAOYSA-N,
AKOS026742741,
1-(azetidin-3-yl)ethan-1-one, trifluoroacetic acid,
1-(azetidin-3-yl)ethan-1-one,trifluoroacetic acid,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.156g/mol |
| Monoisotopic Mass | 213.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number