| CAS Number | 1423031-82-6 |
| Catalog Number | AG01A1M0(AGN-PC-0WOSMS) |
| Chemical Name | methyl 2-amino-1H-1,3-benzodiazole-4-carboxylate hydrochloride |
| IUPAC Name | methyl 2-amino-1H-benzimidazole-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C9H9N3O2.ClH/c1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6;/h2-4H,1H3,(H3,10,11,12);1H |
| InChI Key | FRXGYDJGRCYDLS-UHFFFAOYSA-N |
| MDL Number | MFCD22421886 |
| Molecular Formula | C9H10ClN3O2 |
| Molecular Weight | 227.6476 |
| SMILES | Cl.COC(C1=C2C(NC(=N2)N)=CC=C1)=O |
| Synonyms | methyl 2-amino-1H-1,3-benzodiazole-4-carboxylate hydrochloride,
1423031-82-6,
AKOS026742562,
NE38266,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.648g/mol |
| Monoisotopic Mass | 227.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number