| CAS Number | 1955506-52-1 |
| Catalog Number | AG01BDJB |
| Chemical Name | 1-(1H-imidazol-2-yl)ethan-1-one hydrochloride |
| IUPAC Name | 1-(1H-imidazol-2-yl)ethanone;hydrochloride |
| InChI | InChI=1S/C5H6N2O.ClH/c1-4(8)5-6-2-3-7-5;/h2-3H,1H3,(H,6,7);1H |
| InChI Key | QEGJCILHFFAGLL-UHFFFAOYSA-N |
| MDL Number | MFCD08668454 |
| Molecular Formula | C5H7ClN2O |
| Molecular Weight | 146.5749 |
| SMILES | Cl.CC(C1NC=CN=1)=O |
| Synonyms | 1-(1H-imidazol-2-yl)ethan-1-one hydrochloride,
Q-102343,
1955506-52-1,
AKOS026744793,
AM806885,
EN300-177529,
2-acetylimidazole,
1- -ETHANONEHCL,
1-(1H-IMIDAZOL-2-YL)-ETHANONE HCL,
53981-69-4,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.574g/mol |
| Monoisotopic Mass | 146.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number