| CAS Number | 853789-17-0 |
| Catalog Number | AG00GLY1(AGN-PC-0JBZAQ) |
| Chemical Name | 2-(2-Chloroethyl)-1H-benzo[d]imidazole hydrochloride |
| IUPAC Name | 2-(2-chloroethyl)-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C9H9ClN2.ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6H2,(H,11,12);1H |
| InChI Key | RKAQQSCCMRPDLY-UHFFFAOYSA-N |
| MDL Number | MFCD20441422 |
| Molecular Formula | C9H10Cl2N2 |
| Molecular Weight | 217.0951 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CCCl.Cl |
| Synonyms | 853789-17-0,
2-(2-Chloroethyl)-1H-benzo[d]imidazole hydrochloride,
2-(2-chloroethyl)-1H-benzimidazole hydrochloride,
SCHEMBL18764991,
DTXSID20744318,
MFCD20441422,
AKOS016013397,
2-(2-chloroethyl)-1H-1,3-benzodiazole hydrochloride,
1H-BenziMidazole, 2-(2-chloroethyl)-, hydrochloride (1,
2-(2-Chloroethyl)-1H-benzimidazole--hydrogen chloride (1/1),
2-(2-Chloroethyl)-1H-benzo[d]imidazolehydrochloride,
405173-97-9,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.093g/mol |
| Monoisotopic Mass | 216.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^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