| CAS Number | 1152533-85-1 |
| Catalog Number | AG01ABWU |
| Chemical Name | 1-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2,4-difluorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H6F2N2O2/c11-6-1-2-9(7(12)5-6)14-4-3-8(13-14)10(15)16/h1-5H,(H,15,16) |
| InChI Key | LEWKRIWZTYUQFH-UHFFFAOYSA-N |
| MDL Number | MFCD10690800 |
| Molecular Formula | C10H6F2N2O2 |
| Molecular Weight | 224.1636 |
| SMILES | OC(C1=NN(C2=C(F)C=C(F)C=C2)C=C1)=O |
| Synonyms | 1-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid,
1152533-85-1,
ZINC26514976,
AKOS009260781,
NE18062,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.167g/mol |
| Monoisotopic Mass | 224.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number