| CAS Number | 1193390-13-4 |
| Catalog Number | AG019VKA(AGN-PC-0WOVI9) |
| Chemical Name | 1-(2-bromoethyl)-2-methyl-1H-1,3-benzodiazole hydrobromide |
| IUPAC Name | 1-(2-bromoethyl)-2-methylbenzimidazole;hydrobromide |
| InChI | InChI=1S/C10H11BrN2.BrH/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11;/h2-5H,6-7H2,1H3;1H |
| InChI Key | NUKNWCCWJJITSZ-UHFFFAOYSA-N |
| MDL Number | MFCD12197218 |
| Molecular Formula | C10H12Br2N2 |
| Molecular Weight | 320.0237 |
| SMILES | Br.CC1N(CCBr)C2=C(C=CC=C2)N=1 |
| Synonyms | 1-(2-bromoethyl)-2-methyl-1H-1,3-benzodiazole hydrobromide,
1193390-13-4,
AC1Q23E0,
CTK5J0331,
AKOS026744528,
NE41333,
EN300-45482,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.028g/mol |
| Monoisotopic Mass | 317.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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