| CAS Number | 1226167-76-5 |
| Catalog Number | AG01A50B |
| Chemical Name | 1-(3-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3-fluorophenyl)-5-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H9FN2O2/c1-7-5-10(11(15)16)13-14(7)9-4-2-3-8(12)6-9/h2-6H,1H3,(H,15,16) |
| InChI Key | WJQPYKXTWOTIBA-UHFFFAOYSA-N |
| MDL Number | MFCD16311034 |
| Molecular Formula | C11H9FN2O2 |
| Molecular Weight | 220.1998 |
| SMILES | CC1N(C2=CC(F)=CC=C2)N=C(C(O)=O)C=1 |
| Synonyms | 1-(3-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid,
1226167-76-5,
ZINC41233708,
AKOS010813331,
KS-8987,
NE45617,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.203g/mol |
| Monoisotopic Mass | 220.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number