| CAS Number | 1955494-28-6 |
| Catalog Number | AG01C5RK |
| Chemical Name | 1-Phenyl-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-phenylimidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H8N2O2.ClH/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8;/h1-7H,(H,13,14);1H |
| InChI Key | NOOIYDZLZNGSOV-UHFFFAOYSA-N |
| MDL Number | MFCD29991491 |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.6437 |
| SMILES | Cl.OC(C1N=CN(C2=CC=CC=C2)C=1)=O |
| Synonyms | 1-phenyl-1H-imidazole-4-carboxylic acid hydrochloride,
1955494-28-6,
Z2469606460,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.644g/mol |
| Monoisotopic Mass | 224.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number