| CAS Number | 1797933-78-8 |
| Catalog Number | AG01B17L |
| Chemical Name | 1-(2,6-Difluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2,6-difluorophenyl)-5-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H8F2N2O2/c1-6-5-9(11(16)17)14-15(6)10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,16,17) |
| InChI Key | UHYQXGQALYJYRL-UHFFFAOYSA-N |
| MDL Number | MFCD27980870 |
| Molecular Formula | C11H8F2N2O2 |
| Molecular Weight | 238.1902 |
| SMILES | CC1N(C2=C(F)C=CC=C2F)N=C(C(O)=O)C=1 |
| Synonyms | 1-(2,6-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid,
1797933-78-8,
ZINC96034526,
AKOS033593526,
MCULE-7947317107,
Z1801307653,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.194g/mol |
| Monoisotopic Mass | 238.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number