| CAS Number | 1015846-07-7 |
| Catalog Number | AG0004W1(AGN-PC-0WB37O) |
| Chemical Name | 1-[1-(2-Methylphenyl)-1H-pyrazol-4-YL]ethanone |
| IUPAC Name | 1-[1-(2-methylphenyl)pyrazol-4-yl]ethanone |
| InChI | InChI=1S/C12H12N2O/c1-9-5-3-4-6-12(9)14-8-11(7-13-14)10(2)15/h3-8H,1-2H3 |
| InChI Key | HGJGSNIKFGKXQM-UHFFFAOYSA-N |
| MDL Number | MFCD09055191 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | N1(C2=CC=CC=C2C)C=C(C=N1)C(C)=O |
| Synonyms | 1015846-07-7,
1-[1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL]ETHANONE,
1-(1-(o-Tolyl)-1H-pyrazol-4-yl)ethanone,
1-[1-(2-Methylphenyl)-1H-pyrazol-4-yl]ethan-1-one,
ethanone, 1-[1-(2-methylphenyl)-1H-pyrazol-4-yl]-,
SCHEMBL18752585,
CTK3J9961,
DTXSID60650787,
ALBB-028443,
ZX-AN052677,
ZX-CM002070,
MFCD09055191,
ZINC19087965,
AKOS006341306,
MCULE-6865658987,
AJ-70876,
Y-5028,
4002411-25G,
4002411-50G,
1-[1-(2-methylphenyl)pyrazol-4-yl]ethanone,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number