| CAS Number | 1420800-22-1 |
| Catalog Number | AG009WWQ(AGN-PC-0WAC5X) |
| Chemical Name | 7-Bromo-1-ethyl-1H-benzo[d]imidazole-5-carbonitrile |
| IUPAC Name | 7-bromo-1-ethylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C10H8BrN3/c1-2-14-6-13-9-4-7(5-12)3-8(11)10(9)14/h3-4,6H,2H2,1H3 |
| InChI Key | WMDXKBIOHZUJDY-UHFFFAOYSA-N |
| MDL Number | MFCD22689135 |
| Molecular Formula | C10H8BrN3 |
| Molecular Weight | 250.0946 |
| SMILES | CCn1cnc2c1c(cc(c2)C#N)Br |
| Synonyms | 7-Bromo-1-ethylbenzodiazole-5-carbonitrile,
1420800-22-1,
ZINC95496076,
V3146,
C10H8BrN3,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.099g/mol |
| Monoisotopic Mass | 248.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number