| CAS Number | 54104-37-9 |
| Catalog Number | AG01BEKN(AGN-PC-0JQYDC) |
| Chemical Name | 2-(3-chloropropyl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 2-(3-chloropropyl)-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C10H11ClN2.ClH/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10;/h1-2,4-5H,3,6-7H2,(H,12,13);1H |
| InChI Key | QKNGJODTRVZRDR-UHFFFAOYSA-N |
| MDL Number | MFCD28064082 |
| Molecular Formula | C10H12Cl2N2 |
| Molecular Weight | 231.1217 |
| NSC Number | 91911 |
| SMILES | Cl.ClCCCC1NC2=C(C=CC=C2)N=1 |
| Synonyms | 54104-37-9,
2-(3-chloropropyl)-1H-1,3-benzodiazole hydrochloride,
SCHEMBL20532902,
DTXSID20637599,
NSC91911,
NSC-91911,
AKOS026744671,
2-(3-Chloropropyl)-1H-benzimidazole--hydrogen chloride (1/1),
2-(3-chloropropyl)-1H-benzimidazole,hydrochloride,
|
| Complexity | 163 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.12g/mol |
| Monoisotopic Mass | 230.038g/mol |
| Rotatable Bond Count | 3 |
| 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