| CAS Number | 1304458-60-3 |
| Catalog Number | AG01A3Y2 |
| Chemical Name | 5-bromo-2-(pyridin-2-yl)-1H-1,3-benzodiazole |
| IUPAC Name | 6-bromo-2-pyridin-2-yl-1H-benzimidazole |
| InChI | InChI=1S/C12H8BrN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16) |
| InChI Key | UPORMWWQCXNWOP-UHFFFAOYSA-N |
| MDL Number | MFCD20403487 |
| Molecular Formula | C12H8BrN3 |
| Molecular Weight | 274.1160 |
| SMILES | BrC1=CC2=C(NC(C3=NC=CC=C3)=N2)C=C1 |
| Synonyms | 5-bromo-2-(pyridin-2-yl)-1H-1,3-benzodiazole,
1304458-60-3,
SCHEMBL12544900,
UPORMWWQCXNWOP-UHFFFAOYSA-N,
ZINC84437432,
AKOS014051814,
MCULE-8793146235,
NE40759,
5-bromo-2-(pyridin-2-yl)-1H-benzo[d]imidazole,
Z1695906734,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.121g/mol |
| Monoisotopic Mass | 272.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number