| CAS Number | 1360963-12-7 |
| Catalog Number | AG01BAZO |
| Chemical Name | 6-Bromo-4-methoxy-1H-1,3-benzodiazole |
| IUPAC Name | 6-bromo-4-methoxy-1H-benzimidazole |
| InChI | InChI=1S/C8H7BrN2O/c1-12-7-3-5(9)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11) |
| InChI Key | POJQRKWNXUKDRM-UHFFFAOYSA-N |
| MDL Number | MFCD22558040 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | COC1=C2N=CNC2=CC(Br)=C1 |
| Synonyms | 6-bromo-4-methoxy-1H-1,3-benzodiazole,
1360963-12-7,
5-Bromo-7-methoxy-1H-benzimidazole,
AKOS033755104,
ZINC225522375,
Z2065788086,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number