| CAS Number | 1147198-16-0 |
| Catalog Number | AG009A4Q(AGN-PC-0WBAC9) |
| Chemical Name | Sodium 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| IUPAC Name | sodium;5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C14H8F3N3O2.Na/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-12-9(13(21)22)7-18-20(11)12;/h1-7H,(H,21,22);/q;+1/p-1 |
| InChI Key | SZCAXUMCYZTDGV-UHFFFAOYSA-M |
| MDL Number | MFCD01080839 |
| Molecular Formula | C14H7F3N3NaO2 |
| Molecular Weight | 329.2093 |
| SMILES | [Na+].[O-]C(C1=C2N(C(C(F)(F)F)=CC(C3=CC=CC=C3)=N2)N=C1)=O |
| Synonyms | sodium 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate,
1147198-16-0,
Sodium 5-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate,
CTK5I4930,
SBB022502,
STK349856,
AKOS000311112,
AKOS024273118,
AKOS025244702,
MCULE-6628880106,
ST45114957,
Z2106593240,
sodium, 5-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate,
SODIUM; 5-PHENYL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.214g/mol |
| Monoisotopic Mass | 329.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number