| CAS Number | 1240527-05-2 |
| Catalog Number | AG01A9CB(AGN-PC-0WO5WE) |
| Chemical Name | 2-(2-Chloroethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 2-(2-chloroethyl)-1-methylbenzimidazole;hydrochloride |
| InChI | InChI=1S/C10H11ClN2.ClH/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11;/h2-5H,6-7H2,1H3;1H |
| InChI Key | OZHIWOKOFJJVGL-UHFFFAOYSA-N |
| MDL Number | MFCD16622052 |
| Molecular Formula | C10H12Cl2N2 |
| Molecular Weight | 231.1217 |
| SMILES | Cl.CN1C2=C(C=CC=C2)N=C1CCCl |
| Synonyms | 2-(2-chloroethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride,
1240527-05-2,
AC1Q3BMO,
AKOS026728013,
NE31746,
EN300-64699,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.12g/mol |
| Monoisotopic Mass | 230.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number