| CAS Number | 1936247-74-3 |
| Catalog Number | AG00I30D(AGN-PC-0WR2XS) |
| Chemical Name | 2-(6-Nitropyridin-3-yl)acetonitrile |
| IUPAC Name | 2-(6-nitropyridin-3-yl)acetonitrile |
| InChI | InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(9-5-6)10(11)12/h1-2,5H,3H2 |
| InChI Key | OBYRLCRDBFCKHJ-UHFFFAOYSA-N |
| MDL Number | MFCD18291966 |
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.1335 |
| SMILES | N#CCc1ccc(nc1)[N+](=O)[O-] |
| Synonyms | 2-(6-Nitropyridin-3-yl)acetonitrile,
1936247-74-3,
AKOS027335042,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.136g/mol |
| Monoisotopic Mass | 163.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number