| CAS Number | 1134818-07-7 |
| Catalog Number | AG019MUC |
| Chemical Name | 1-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C12H10F2N2O/c1-7-10(6-17)8(2)16(15-7)12-4-3-9(13)5-11(12)14/h3-6H,1-2H3 |
| InChI Key | INEVOTSMFVMARO-UHFFFAOYSA-N |
| MDL Number | MFCD09933362 |
| Molecular Formula | C12H10F2N2O |
| Molecular Weight | 236.2174 |
| SMILES | CC1C(C=O)=C(C)N(C2=C(F)C=C(F)C=C2)N=1 |
| Synonyms | 1-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde,
1134818-07-7,
AC1Q2PJN,
CTK7H8025,
ZINC19437635,
AKOS000174670,
MCULE-2073209899,
NE30983,
EN300-37307,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.222g/mol |
| Monoisotopic Mass | 236.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number