| CAS Number | 1196145-51-3 |
| Catalog Number | AG0099OX |
| Chemical Name | 1H-Pyrazole, 4-(3-fluorophenyl)- |
| IUPAC Name | 4-(3-fluorophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H7FN2/c10-9-3-1-2-7(4-9)8-5-11-12-6-8/h1-6H,(H,11,12) |
| InChI Key | LKGNDTNLNLHLKU-UHFFFAOYSA-N |
| MDL Number | MFCD13190108 |
| Molecular Formula | C9H7FN2 |
| Molecular Weight | 162.1637 |
| SMILES | FC=1C=C(C=CC1)C=1C=NNC1 |
| Synonyms | 1196145-51-3,
4-(3-FLUOROPHENYL)-1H-PYRAZOLE,
1H-Pyrazole, 4-(3-fluorophenyl)-,
AKOS017516419,
AB69775,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.059326g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.16g/mol |
| Monoisotopic Mass | 162.059326g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number