| CAS Number | 1521055-55-9 |
| Catalog Number | AG01C1HF |
| Chemical Name | 2-Fluoro-6-(1H-pyrazol-1-yl)benzoic acid |
| IUPAC Name | 2-fluoro-6-pyrazol-1-ylbenzoic acid |
| InChI | InChI=1S/C10H7FN2O2/c11-7-3-1-4-8(9(7)10(14)15)13-6-2-5-12-13/h1-6H,(H,14,15) |
| InChI Key | RQYZHVNALVGILY-UHFFFAOYSA-N |
| MDL Number | MFCD21944903 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | OC(C1=C(N2N=CC=C2)C=CC=C1F)=O |
| Synonyms | 2-fluoro-6-(1H-pyrazol-1-yl)benzoic acid,
1521055-55-9,
SCHEMBL17007371,
RQYZHVNALVGILY-UHFFFAOYSA-N,
ZINC86477848,
AKOS018067585,
Z1331570741,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number