| CAS Number | 1177310-33-6 |
| Catalog Number | AG019TMW |
| Chemical Name | 2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(2-methylbenzimidazol-1-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O2.ClH/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14;/h2-5H,6H2,1H3,(H,13,14);1H |
| InChI Key | VJCYHNKNDZZIGV-UHFFFAOYSA-N |
| MDL Number | MFCD09901765 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | Cl.CC1N(CC(O)=O)C2=C(C=CC=C2)N=1 |
| Synonyms | 2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetic acid hydrochloride,
2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetic acid hydrochloride,
1177310-33-6,
AKOS015948009,
MCULE-3143721209,
NE17447,
F2101-0163,
4078-55-1,
|
| Complexity | 232 |
| 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 | 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