| CAS Number | 1015846-11-3 |
| Catalog Number | AG0004VY(AGN-PC-0WB37U) |
| Chemical Name | 1-[1-(3-Methoxyphenyl)-1H-pyrazol-4-YL]ethanone |
| IUPAC Name | 1-[1-(3-methoxyphenyl)pyrazol-4-yl]ethanone |
| InChI | InChI=1S/C12H12N2O2/c1-9(15)10-7-13-14(8-10)11-4-3-5-12(6-11)16-2/h3-8H,1-2H3 |
| InChI Key | ZEVZEQYTJIGCNE-UHFFFAOYSA-N |
| MDL Number | MFCD09055194 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | N1(C2=CC=CC(OC)=C2)C=C(C=N1)C(C)=O |
| Synonyms | 1015846-11-3,
1-[1-(3-METHOXYPHENYL)-1H-PYRAZOL-4-YL]ETHANONE,
1-(1-(3-Methoxyphenyl)-1H-pyrazol-4-yl)ethanone,
SCHEMBL17324763,
CTK3J9964,
DTXSID90650790,
ZX-CM002078,
MFCD09055194,
ZINC19087983,
AKOS022184531,
MCULE-3876333527,
AJ-70879,
Y-5031,
1-[1-(3-Methoxyphenyl)-1H-pyrazol-4-yl]ethan-1-one,
4002422-25G,
Ethanone, 1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]-,
1-[1-(3-Methoxyphenyl)-1H-pyrazol-4-yl]ethanone, AldrichCPR,
|
| Complexity | 257 |
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number