| CAS Number | 364774-78-7 |
| Catalog Number | AG01EAGW(AGN-PC-0H21EF) |
| Chemical Name | 2-Chloro-1,3-Dimethyl-1H-Benzimidazol-3-Ium Chloride |
| IUPAC Name | 2-chloro-1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium;chloride |
| InChI | InChI=1S/C9H11ClN2.ClH/c1-11-7-5-3-4-6-8(7)12(2)9(11)10;/h3-6,9H,1-2H3;1H |
| InChI Key | OWOQOMAUKATVIO-UHFFFAOYSA-N |
| MDL Number | MFCD31726186 |
| Molecular Formula | C9H10Cl2N2 |
| Molecular Weight | 217.0951 |
| SMILES | CN1C2=CC=CC=C2[N+](=C1Cl)C.[Cl-] |
| Synonyms | SCHEMBL243084,
AKOS028110390,
1H-Benzimidazolium, 2-chloro-1,3-dimethyl-, chloride,
364774-78-7,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.109g/mol |
| Monoisotopic Mass | 218.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 7.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number