| CAS Number | 405213-06-1 |
| Catalog Number | AG01A6SJ(AGN-PC-02UUTU) |
| Chemical Name | 3-(1H-imidazol-1-yl)-1-(4-methylphenyl)propan-1-one |
| IUPAC Name | 3-imidazol-1-yl-1-(4-methylphenyl)propan-1-one |
| InChI | InChI=1S/C13H14N2O/c1-11-2-4-12(5-3-11)13(16)6-8-15-9-7-14-10-15/h2-5,7,9-10H,6,8H2,1H3 |
| InChI Key | QNKCDQIFYWNORX-UHFFFAOYSA-N |
| MDL Number | MFCD25970419 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.2631 |
| SMILES | CC1=CC=C(C(CCN2C=NC=C2)=O)C=C1 |
| Synonyms | 3-(1H-imidazol-1-yl)-1-(4-methylphenyl)propan-1-one,
405213-06-1,
SCHEMBL11257445,
ZINC95348302,
AKOS033529741,
MCULE-5111270024,
NE18274,
4'-Methyl-beta-(1H-imidazole-1-yl)propiophenone,
Z1675167131,
3-(1H-imidazol-1-yl)-1-(p-tolyl)propan-1-one,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.268g/mol |
| Monoisotopic Mass | 214.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number