| CAS Number | 1015846-08-8 |
| Catalog Number | AG0004W0(AGN-PC-0WB37P) |
| Chemical Name | 1-(1-(m-Tolyl)-1H-pyrazol-4-yl)ethanone |
| IUPAC Name | 1-[1-(3-methylphenyl)pyrazol-4-yl]ethanone |
| InChI | InChI=1S/C12H12N2O/c1-9-4-3-5-12(6-9)14-8-11(7-13-14)10(2)15/h3-8H,1-2H3 |
| InChI Key | MIJZNNXCFVFLMM-UHFFFAOYSA-N |
| MDL Number | MFCD09055192 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | N1(C2=CC=CC(C)=C2)C=C(C=N1)C(C)=O |
| Synonyms | 1015846-08-8,
1-[1-(3-METHYLPHENYL)-1H-PYRAZOL-4-YL]ETHANONE,
1-(1-(m-Tolyl)-1H-pyrazol-4-yl)ethanone,
1-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]ethan-1-one,
SCHEMBL17365305,
CTK3J9962,
DTXSID20650788,
ZX-CM002071,
MFCD09055192,
ZINC19087970,
AKOS006341307,
AJ-70877,
Y-5029,
Ethanone, 1-[1-(3-methylphenyl)-1H-pyrazol-4-yl]-,
4002412-25G,
4002412-50G,
1-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]ethanone, AldrichCPR,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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