| CAS Number | 2197061-68-8 |
| Catalog Number | AG01FSDI(AGN-PC-3H6033) |
| Chemical Name | 1-(Tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-indazol-4-ol |
| IUPAC Name | 1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-ol |
| InChI | InChI=1S/C13H13F3N2O2/c14-13(15,16)9-4-5-10-8(12(9)19)7-17-18(10)11-3-1-2-6-20-11/h4-5,7,11,19H,1-3,6H2 |
| InChI Key | QORUNXBAJPJHMG-UHFFFAOYSA-N |
| MDL Number | MFCD31619101 |
| Molecular Formula | C13H13F3N2O2 |
| Molecular Weight | 286.2497 |
| SMILES | O1C(CCCC1)N1N=CC=2C(=C(C=CC12)C(F)(F)F)O |
| Synonyms | 2197061-68-8,
1-(Tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-indazol-4-ol,
SCHEMBL21196202,
AK689030,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.092912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.25g/mol |
| Monoisotopic Mass | 286.092912g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number