| CAS Number | 879996-62-0 |
| Catalog Number | AG019Z9D(AGN-PC-0OLEBR) |
| Chemical Name | 3-(2-fluorophenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-(2-fluorophenyl)-1H-pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H7FN2O/c11-9-4-2-1-3-8(9)10-7(6-14)5-12-13-10/h1-6H,(H,12,13) |
| InChI Key | BENGWFNHUIVIBV-UHFFFAOYSA-N |
| MDL Number | MFCD08700642 |
| Molecular Formula | C10H7FN2O |
| Molecular Weight | 190.1738 |
| SMILES | FC1=C(C2C(C=O)=CNN=2)C=CC=C1 |
| Synonyms | 3-(2-fluorophenyl)-1H-pyrazole-4-carbaldehyde,
879996-62-0,
ZINC20417841,
AKOS003672675,
NE19404,
BB 0249203,
5-(2-Fluoro-phenyl)-1H-pyrazole-4-carbaldeh yde,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.177g/mol |
| Monoisotopic Mass | 190.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number