| CAS Number | 1015846-09-9 |
| Catalog Number | AG0004VZ(AGN-PC-0WB37T) |
| Chemical Name | 1-[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethanone |
| IUPAC Name | 1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanone |
| InChI | InChI=1S/C12H12N2O2/c1-9(15)10-7-13-14(8-10)11-3-5-12(16-2)6-4-11/h3-8H,1-2H3 |
| InChI Key | PGMYSSDXHWIJPK-UHFFFAOYSA-N |
| MDL Number | MFCD09055193 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | C1(C(C)=O)C=NN(C2=CC=C(C=C2)OC)C=1 |
| Synonyms | 1015846-09-9,
1-[1-(4-METHOXYPHENYL)-1H-PYRAZOL-4-YL]ETHANONE,
1-[1-(4-Methoxyphenyl)-1H-pyrazol-4-yl]ethan-1-one,
1-(1-(4-Methoxyphenyl)-1H-pyrazol-4-yl)ethanone,
CTK3J9963,
DTXSID80650789,
ZX-CM002076,
MFCD09055193,
ZINC19087980,
AKOS022184526,
MCULE-6151427922,
AJ-70878,
Y-5030,
4002420-25G,
4002420-50G,
Ethanone, 1-[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-,
1-[1-(4-Methoxyphenyl)-1H-pyrazol-4-yl]ethanone AldrichCPR,
1-[1-(4-Methoxyphenyl)-1H-pyrazol-4-yl]ethanone, AldrichCPR,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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