| CAS Number | 1955498-23-3 |
| Catalog Number | AG01B2MZ |
| Chemical Name | methyl 2-(hydroxymethyl)-1H-1,3-benzodiazole-5-carboxylate hydrochloride |
| IUPAC Name | methyl 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C10H10N2O3.ClH/c1-15-10(14)6-2-3-7-8(4-6)12-9(5-13)11-7;/h2-4,13H,5H2,1H3,(H,11,12);1H |
| InChI Key | CAPXGACBRJNPQF-UHFFFAOYSA-N |
| MDL Number | MFCD29991673 |
| Molecular Formula | C10H11ClN2O3 |
| Molecular Weight | 242.6589 |
| SMILES | Cl.COC(C1=CC2=C(NC(=N2)CO)C=C1)=O |
| Synonyms | methyl 2-(hydroxymethyl)-1H-1,3-benzodiazole-5-carboxylate hydrochloride,
1955498-23-3,
AKOS033932327,
Z2509351238,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.659g/mol |
| Monoisotopic Mass | 242.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number