| CAS Number | 1152508-36-5 |
| Catalog Number | AG01DYFU |
| Chemical Name | 3-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(3-fluorophenyl)-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9FN2O/c1-14-6-9(7-15)11(13-14)8-3-2-4-10(12)5-8/h2-7H,1H3 |
| InChI Key | FDJKFRKFHXBWTI-UHFFFAOYSA-N |
| MDL Number | MFCD11180175 |
| Molecular Formula | C11H9FN2O |
| Molecular Weight | 204.2004 |
| SMILES | CN1N=C(C2=CC(F)=CC=C2)C(C=O)=C1 |
| Synonyms | 3-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carbaldehyde,
1152508-36-5,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.204g/mol |
| Monoisotopic Mass | 204.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number