| CAS Number | 949321-50-0 |
| Catalog Number | AG019KY4(AGN-PC-0WO818) |
| Chemical Name | 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde |
| IUPAC Name | 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde |
| InChI | InChI=1S/C9H6F3N3O/c1-5-6(4-16)8-13-3-2-7(9(10,11)12)15(8)14-5/h2-4H,1H3 |
| InChI Key | ZYBYHCUUUQINQO-UHFFFAOYSA-N |
| MDL Number | MFCD09802111 |
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.1586 |
| SMILES | CC1C(C=O)=C2N(C(C(F)(F)F)=CC=N2)N=1 |
| Synonyms | 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde,
949321-50-0,
AC1Q2Q1Q,
CTK7H8064,
ZINC12891396,
AKOS022177631,
MCULE-3864218859,
NE58933,
AJ-63064,
EN300-28958,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.162g/mol |
| Monoisotopic Mass | 229.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number