| CAS Number | 1092459-45-4 |
| Catalog Number | AG01CA5B |
| Chemical Name | 3'-(trifluoromethyl)-1',4',6',7'-tetrahydrospiro[1,3-dioxolane-2,5'-indazole] |
| IUPAC Name | 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] |
| InChI | InChI=1S/C10H11F3N2O2/c11-10(12,13)8-6-5-9(16-3-4-17-9)2-1-7(6)14-15-8/h1-5H2,(H,14,15) |
| InChI Key | FVZMHORKMDVJBU-UHFFFAOYSA-N |
| MDL Number | MFCD08447467 |
| Molecular Formula | C10H11F3N2O2 |
| Molecular Weight | 248.2017 |
| SMILES | FC(C1C2=C(CCC3(OCCO3)C2)NN=1)(F)F |
| Synonyms | 3'-(trifluoromethyl)-1',4',6',7'-tetrahydrospiro[[1,3]dioxolane-2,5'-indazole],
3'-(trifluoromethyl)-1',4',6',7'-tetrahydrospiro[1,3-dioxolane-2,5'-indazole],
1092459-45-4,
6,7-Dihydro-3-trifluoromethyl-5(1,4H)indazolone ethylene ketal,
SCHEMBL4753232,
FVZMHORKMDVJBU-UHFFFAOYSA-N,
AKOS025213495,
CS-0080514,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.205g/mol |
| Monoisotopic Mass | 248.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number