| CAS Number | 1334147-28-2 |
| Catalog Number | AG00HSW6(AGN-PC-0WOCEU) |
| Chemical Name | Ethyl 2-chloro-3-nitroisonicotinate |
| IUPAC Name | ethyl 2-chloro-3-nitropyridine-4-carboxylate |
| InChI | InChI=1S/C8H7ClN2O4/c1-2-15-8(12)5-3-4-10-7(9)6(5)11(13)14/h3-4H,2H2,1H3 |
| InChI Key | MAGLVFFQIFGJIS-UHFFFAOYSA-N |
| MDL Number | MFCD17214981 |
| Molecular Formula | C8H7ClN2O4 |
| Molecular Weight | 230.6052 |
| SMILES | CCOC(C1=C([N+]([O-])=O)C(Cl)=NC=C1)=O |
| Synonyms | Ethyl 2-chloro-3-nitroisonicotinate,
1334147-28-2,
ethyl 2-chloro-3-nitropyridine-4-carboxylate,
MFCD17214981,
ZINC68576648,
AKOS026730083,
NE16191,
AS-43124,
EN300-81896,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.604g/mol |
| Monoisotopic Mass | 230.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number