| CAS Number | 1152511-49-3 |
| Catalog Number | AG01B8II |
| Chemical Name | 1-(3-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16) |
| InChI Key | GNVISLUCVVHPCS-UHFFFAOYSA-N |
| MDL Number | MFCD11133583 |
| Molecular Formula | C10H7FN2O3 |
| Molecular Weight | 222.1726 |
| SMILES | OC(C1C(O)=CN(C2=CC(F)=CC=C2)N=1)=O |
| Synonyms | 1-(3-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid,
1152511-49-3,
ZINC36721586,
AKOS009290763,
Z2510258294,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.175g/mol |
| Monoisotopic Mass | 222.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number