| CAS Number | 1394041-65-6 |
| Catalog Number | AG019ZF5(AGN-PC-0WO692) |
| Chemical Name | 2-Chloro-3-nitropyridine-4-carbonitrile |
| IUPAC Name | 2-chloro-3-nitropyridine-4-carbonitrile |
| InChI | InChI=1S/C6H2ClN3O2/c7-6-5(10(11)12)4(3-8)1-2-9-6/h1-2H |
| InChI Key | ZLJPCCMBISZPJO-UHFFFAOYSA-N |
| MDL Number | MFCD22375233 |
| Molecular Formula | C6H2ClN3O2 |
| Molecular Weight | 183.5520 |
| SMILES | ClC1=NC=CC(=C1[N+](=O)[O-])C#N |
| Synonyms | 2-chloro-3-nitropyridine-4-carbonitrile,
1394041-65-6,
ZINC75772011,
AKOS022704741,
NE24853,
RP24426,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.551g/mol |
| Monoisotopic Mass | 182.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number