| CAS Number | 958297-39-7 |
| Catalog Number | AG01B1MW |
| Chemical Name | 3-phenylazetidin-3-ol; trifluoroacetic acid |
| IUPAC Name | 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H11NO.C2HF3O2/c11-9(6-10-7-9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,10-11H,6-7H2;(H,6,7) |
| InChI Key | RIYUWUOCUQVEPN-UHFFFAOYSA-N |
| MDL Number | MFCD28063899 |
| Molecular Formula | C11H12F3NO3 |
| Molecular Weight | 263.2131 |
| SMILES | OC(C(F)(F)F)=O.OC1(C2=CC=CC=C2)CNC1 |
| Synonyms | 3-phenylazetidin-3-ol, trifluoroacetic acid,
958297-39-7,
SCHEMBL1310033,
RIYUWUOCUQVEPN-UHFFFAOYSA-N,
3-phenylazetidin-3-ol,trifluoroacetic acid,
3-phenylazetidin-3-ol; trifluoroacetic acid,
3-Hydroxy-3-phenylazetidine trifluoroacetate,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.216g/mol |
| Monoisotopic Mass | 263.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number