| CAS Number | 1956323-01-5 |
| Catalog Number | AG01DTS4 |
| Chemical Name | 5-bromo-1-(3,4-dimethoxyphenyl)-1h-benzo[d]imidazole |
| IUPAC Name | 5-bromo-1-(3,4-dimethoxyphenyl)benzimidazole |
| InChI | InChI=1S/C15H13BrN2O2/c1-19-14-6-4-11(8-15(14)20-2)18-9-17-12-7-10(16)3-5-13(12)18/h3-9H,1-2H3 |
| InChI Key | ANGWBRRLUWJKON-UHFFFAOYSA-N |
| MDL Number | MFCD24386276 |
| Molecular Formula | C15H13BrN2O2 |
| Molecular Weight | 333.1799 |
| SMILES | COC1=CC=C(C=C1OC)N1C=NC2=CC(Br)=CC=C12 |
| Synonyms | 5-Bromo-1-(3,4-dimethoxyphenyl)-1H-benzo[d]imidazole,
1956323-01-5,
MFCD24386276,
ZINC95929835,
CS-W018396,
AS-48617,
AJ-135820,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.185g/mol |
| Monoisotopic Mass | 332.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number