| CAS Number | 907545-64-6 |
| Catalog Number | AG00IRUO(AGN-PC-0WAYAZ) |
| Chemical Name | Ethyl 2-chloro-5-nitropyridine-4-carboxylate |
| IUPAC Name | ethyl 2-chloro-5-nitropyridine-4-carboxylate |
| InChI | InChI=1S/C8H7ClN2O4/c1-2-15-8(12)5-3-7(9)10-4-6(5)11(13)14/h3-4H,2H2,1H3 |
| InChI Key | VXTKSUGJWMHWKD-UHFFFAOYSA-N |
| MDL Number | MFCD22126101 |
| Molecular Formula | C8H7ClN2O4 |
| Molecular Weight | 230.6052 |
| SMILES | O=C(C1=CC(Cl)=NC=C1[N+]([O-])=O)OCC |
| Synonyms | ethyl 2-chloro-5-nitropyridine-4-carboxylate,
907545-64-6,
ethyl 2-chloro-5-nitroisonicotinate,
SCHEMBL3125659,
KS-00001PWT,
VXTKSUGJWMHWKD-UHFFFAOYSA-N,
MFCD22126101,
ZINC72190671,
AKOS015991290,
AKOS025392412,
BG-0018,
AK00763010,
CS-0089398,
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| 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
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Certificate of Analysis
Lot Number