| CAS Number | 1158444-99-5 |
| Catalog Number | AG00948S(AGN-PC-0WACIC) |
| Chemical Name | Benzodiazole-5-carboxylic acid HCl |
| IUPAC Name | 3H-benzimidazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H6N2O2.ClH/c11-8(12)5-1-2-6-7(3-5)10-4-9-6;/h1-4H,(H,9,10)(H,11,12);1H |
| InChI Key | DDMPIPCSFLSDEX-UHFFFAOYSA-N |
| MDL Number | MFCD02856476 |
| Molecular Formula | C8H7ClN2O2 |
| Molecular Weight | 198.6064 |
| SMILES | OC(=O)c1ccc2c(c1)nc[nH]2.Cl |
| Synonyms | Benzodiazole-5-carboxylic acid HCl,
1158444-99-5,
SCHEMBL2725220,
SCHEMBL9928726,
DDMPIPCSFLSDEX-UHFFFAOYSA-N,
5-carboxybenzimidazole.hydrochloride,
Z7733,
C8H6N2O2.HCl,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.606g/mol |
| Monoisotopic Mass | 198.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number