| CAS Number | 91862-40-7 |
| Catalog Number | AG019M7K(AGN-PC-0VWLI1) |
| Chemical Name | 2-(chloromethyl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 2-(chloromethyl)-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C8H7ClN2.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H,10,11);1H |
| InChI Key | IIXABTCJZHHRFL-UHFFFAOYSA-N |
| MDL Number | MFCD00159934 |
| Molecular Formula | C8H8Cl2N2 |
| Molecular Weight | 203.0685 |
| SMILES | Cl.ClCC1=NC2=C(N1)C=CC=C2 |
| Synonyms | 2-(chloromethyl)-1H-benzimidazole hydrochloride,
91862-40-7,
2-(chloromethyl)-1H-1,3-benzodiazole hydrochloride,
2-(Chloromethyl)-1H-benzo[d]imidazole hydrochloride,
AC1Q3BHG,
SCHEMBL5263367,
CTK6H6884,
IIXABTCJZHHRFL-UHFFFAOYSA-N,
AKOS003071730,
MCULE-7255838222,
NE27505,
2-(chloromethyl)benzimidazole, chloride,
2-(chloromethyl)benzimidazole hydrochloride,
ST50484940,
EN300-35245,
1H-Benzimidazole, 2-(chloromethyl)-, hydrochloride,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.066g/mol |
| Monoisotopic Mass | 202.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number