| CAS Number | 1423034-64-3 |
| Catalog Number | AG01A1KM(AGN-PC-0WO8C2) |
| Chemical Name | 2-(prop-2-en-1-yl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 2-prop-2-enyl-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C10H10N2.ClH/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h2-4,6-7H,1,5H2,(H,11,12);1H |
| InChI Key | YMKIVXYDIHKPMH-UHFFFAOYSA-N |
| MDL Number | MFCD22421876 |
| Molecular Formula | C10H11ClN2 |
| Molecular Weight | 194.6607 |
| SMILES | Cl.C=CCC1NC2=C(C=CC=C2)N=1 |
| Synonyms | 2-(prop-2-en-1-yl)-1H-1,3-benzodiazole hydrochloride,
1423034-64-3,
AKOS026728775,
NE16946,
EN300-113984,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.662g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number