| CAS Number | 896094-88-5 |
| Catalog Number | AG01E2OC |
| Chemical Name | 2-{3-bromoimidazo[1,2-a]pyridin-2-yl}acetonitrile |
| IUPAC Name | 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile |
| InChI | InChI=1S/C9H6BrN3/c10-9-7(4-5-11)12-8-3-1-2-6-13(8)9/h1-3,6H,4H2 |
| InChI Key | LVHBQMKKBTUEDR-UHFFFAOYSA-N |
| MDL Number | MFCD27993637 |
| Molecular Formula | C9H6BrN3 |
| Molecular Weight | 236.068 |
| SMILES | BrC1N2C(C=CC=C2)=NC=1CC#N |
| Synonyms | 896094-88-5,
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile,
imidazo[1,2-a]pyridine-2-acetonitrile,3-bromo-,
ZINC27231924,
(3-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.072g/mol |
| Monoisotopic Mass | 234.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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