| CAS Number | 119924-92-4 |
| Catalog Number | AG0094AD(AGN-PC-05D1B3) |
| Chemical Name | 1-[4-(2-Methylimidazol-1-yl)phenyl]ethanone |
| IUPAC Name | 1-[4-(2-methylimidazol-1-yl)phenyl]ethanone |
| InChI | InChI=1S/C12H12N2O/c1-9(15)11-3-5-12(6-4-11)14-8-7-13-10(14)2/h3-8H,1-2H3 |
| InChI Key | LIIAUYRAXKEBGA-UHFFFAOYSA-N |
| MDL Number | MFCD07365186 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | CC(=O)c1ccc(cc1)n1ccnc1C |
| Synonyms | 119924-92-4,
1-[4-(2-Methylimidazol-1-yl)phenyl]ethanone,
1-[4-(2-methyl-1H-imidazol-1-yl)phenyl]ethan-1-one,
CHEMBL275816,
Ethanone, 1-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-,
KM3876,
ZINC19871221,
AKOS000221077,
MCULE-9235719770,
CJ-16473,
Z8141,
F8889-6357,
Z1359429581,
C12H12N2O,
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| Complexity | 234 |
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number