| CAS Number | 1055071-09-4 |
| Catalog Number | AG01EIS9 |
| Chemical Name | methyl 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C11H7ClF3N3O2/c1-20-10(19)7-5-8(11(13,14)15)17-18(7)9-6(12)3-2-4-16-9/h2-5H,1H3 |
| InChI Key | WZBMWPSSWFZDHG-UHFFFAOYSA-N |
| MDL Number | MFCD31665238 |
| Molecular Formula | C11H7ClF3N3O2 |
| Molecular Weight | 305.6404 |
| SMILES | COC(C1N(C2=C(Cl)C=CC=N2)N=C(C(F)(F)F)C=1)=O |
| Synonyms | methyl 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate,
1055071-09-4,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.641g/mol |
| Monoisotopic Mass | 305.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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