| CAS Number | 956777-84-7 |
| Catalog Number | AG019NMH |
| Chemical Name | 3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C18H16N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-12H,1-2H3 |
| InChI Key | HYMDDEKDKOPGOH-UHFFFAOYSA-N |
| MDL Number | MFCD05987329 |
| Molecular Formula | C18H16N2O |
| Molecular Weight | 276.3324 |
| SMILES | O=Cc1cn(nc1c1ccc(c(c1)C)C)c1ccccc1 |
| Synonyms | 3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
956777-84-7,
AC1LJNG2,
AC1Q2DTI,
SCHEMBL11264716,
CTK7I0291,
ZINC619316,
AKOS001086642,
MCULE-5983332456,
NE20399,
EN300-11210,
3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde,
CID976916,
ZINC00619316,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.339g/mol |
| Monoisotopic Mass | 276.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number