| CAS Number | 1221724-84-0 |
| Catalog Number | AG01A7VC(AGN-PC-0WO8OG) |
| Chemical Name | 1,2-dimethyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride |
| IUPAC Name | 1,2-dimethylbenzimidazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O2.ClH/c1-6-11-8-5-7(10(13)14)3-4-9(8)12(6)2;/h3-5H,1-2H3,(H,13,14);1H |
| InChI Key | LFGSEGRPUIJPJD-UHFFFAOYSA-N |
| MDL Number | MFCD15209554 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | Cl.CC1N(C)C2=C(C=C(C(O)=O)C=C2)N=1 |
| Synonyms | 1,2-dimethyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride,
1221724-84-0,
AC1Q3BMN,
CTK7I8517,
AKOS026728884,
NE52081,
EN300-59914,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/mol |
| Rotatable Bond Count | 1 |
| 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