| CAS Number | 1209774-76-4 |
| Catalog Number | AG019XMW |
| Chemical Name | 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethan-1-one hydrochloride |
| IUPAC Name | 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C12H12N2O2.ClH/c1-16-10-4-2-3-9(7-10)11(15)8-12-13-5-6-14-12;/h2-7H,8H2,1H3,(H,13,14);1H |
| InChI Key | SLIPEPFBKBECED-UHFFFAOYSA-N |
| MDL Number | MFCD13196231 |
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.6968 |
| SMILES | Cl.COC1=CC(C(CC2NC=CN=2)=O)=CC=C1 |
| Synonyms | 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethan-1-one hydrochloride,
1209774-76-4,
AC1Q3C1B,
CTK7A8750,
NE22743,
EN300-55428,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.698g/mol |
| Monoisotopic Mass | 252.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number