| CAS Number | 1134692-74-2 |
| Catalog Number | AG01ARH8(AGN-PC-0WCNFS) |
| Chemical Name | 3-(3,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 5-(3,4-difluorophenyl)-2-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H8F2N2O2/c1-15-10(11(16)17)5-9(14-15)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,16,17) |
| InChI Key | FGJAILOFVCOWJI-UHFFFAOYSA-N |
| MDL Number | MFCD10458077 |
| Molecular Formula | C11H8F2N2O2 |
| Molecular Weight | 238.1902 |
| SMILES | CN1C(C(O)=O)=CC(C2=CC(F)=C(F)C=C2)=N1 |
| Synonyms | 3-(3,4-difluorophenyl)-1-methyl-1{H}-pyrazole-5-carboxylic acid,
1134692-74-2,
5-(3,4-difluorophenyl)-2-methylpyrazole-3-carboxylic acid,
ZINC26420160,
AKOS005207319,
MCULE-2983681744,
L-3552,
F1967-0111,
|
| Complexity | 303 |
| 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 |
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Certificate of Analysis
Lot Number