| CAS Number | 1265323-91-8 |
| Catalog Number | AG01AGOS |
| Chemical Name | 1-(3,5-dichloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(3,5-dichloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H4Cl2F3N3O2/c11-4-1-6(12)8(16-2-4)18-7(10(13,14)15)5(3-17-18)9(19)20/h1-3H,(H,19,20) |
| InChI Key | HFQVASHHJCLSHD-UHFFFAOYSA-N |
| MDL Number | MFCD18089505 |
| Molecular Formula | C10H4Cl2F3N3O2 |
| Molecular Weight | 326.0589 |
| SMILES | OC(C1=C(C(F)(F)F)N(C2=C(Cl)C=C(Cl)C=N2)N=C1)=O |
| Synonyms | 1-(3,5-dichloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid,
1265323-91-8,
AC1Q72CJ,
SCHEMBL2293746,
ZINC58038147,
AKOS033172140,
MCULE-1078752708,
NE36404,
EN300-72461,
Z1222278679,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.056g/mol |
| Monoisotopic Mass | 324.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number