| CAS Number | 2006278-23-3 |
| Catalog Number | AG01DEM7(AGN-PC-0WOH9R) |
| Chemical Name | benzyl azetidine-3-carboxylate; trifluoroacetic acid |
| IUPAC Name | benzyl azetidine-3-carboxylate;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C11H13NO2.C2HF3O2/c13-11(10-6-12-7-10)14-8-9-4-2-1-3-5-9;3-2(4,5)1(6)7/h1-5,10,12H,6-8H2;(H,6,7) |
| InChI Key | UBIBTNZPCQFHMF-UHFFFAOYSA-N |
| MDL Number | MFCD30188514 |
| Molecular Formula | C13H14F3NO4 |
| Molecular Weight | 305.2498 |
| SMILES | OC(C(F)(F)F)=O.O=C(C1CNC1)OCC1=CC=CC=C1 |
| Synonyms | Benzyl Azetidine-3-carboxylate Trifluoroacetate,
2006278-23-3,
SCHEMBL17873978,
AKOS032455837,
SY045567,
BenzylAzetidine-3-carboxylateTrifluoroacetate,
MFCD30188514 (95%),
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.253g/mol |
| Monoisotopic Mass | 305.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number