| CAS Number | 1421468-62-3 |
| Catalog Number | AG01AS2K(AGN-PC-0WCNTS) |
| Chemical Name | 1-(4-(Trifluoromethyl)benzo[d]thiazol-2-yl)azetidin-3-ol |
| IUPAC Name | 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol |
| InChI | InChI=1S/C11H9F3N2OS/c12-11(13,14)7-2-1-3-8-9(7)15-10(18-8)16-4-6(17)5-16/h1-3,6,17H,4-5H2 |
| InChI Key | LSKLJJABNGJPAX-UHFFFAOYSA-N |
| MDL Number | MFCD22587766 |
| Molecular Formula | C11H9F3N2OS |
| Molecular Weight | 274.2622 |
| SMILES | FC(F)(F)C1=CC=CC2=C1N=C(S2)N(C3)CC3O |
| Synonyms | 1421468-62-3,
1-(4-(trifluoromethyl)benzo[d]thiazol-2-yl)azetidin-3-ol,
F2145-0957,
CHEMBL3439278,
ZINC85436301,
AKOS024627638,
MCULE-6834757655,
1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.261g/mol |
| Monoisotopic Mass | 274.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number