| CAS Number | 1249612-88-1 |
| Catalog Number | AG009X6U(AGN-PC-0WA6R8) |
| Chemical Name | 2-Fluoro-N-(1H-pyrazol-3-yl)benzamide |
| IUPAC Name | 2-fluoro-N-(1H-pyrazol-5-yl)benzamide |
| InChI | InChI=1S/C10H8FN3O/c11-8-4-2-1-3-7(8)10(15)13-9-5-6-12-14-9/h1-6H,(H2,12,13,14,15) |
| InChI Key | LYHVKZIQHBXQMC-UHFFFAOYSA-N |
| MDL Number | MFCD14657342 |
| Molecular Formula | C10H8FN3O |
| Molecular Weight | 205.1884 |
| SMILES | Fc1ccccc1C(=O)Nc1cc[nH]n1 |
| Synonyms | 2-Fluoro-N-(1H-pyrazol-3-yl)benzamide,
1249612-88-1,
2-Fluoro-N-1H-pyrazol-3-ylbenzamide,
SCHEMBL756390,
LYHVKZIQHBXQMC-UHFFFAOYSA-N,
ZINC42413788,
AKOS010652352,
Z8843,
Z827322118,
C10H8FN3O,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.192g/mol |
| Monoisotopic Mass | 205.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number