| CAS Number | 1805667-69-9 |
| Catalog Number | AG002242(AGN-PC-0WCZ20) |
| Chemical Name | 2-Chloro-5-methoxy-4-nitropyridine |
| IUPAC Name | 2-chloro-5-methoxy-4-nitropyridine |
| InChI | InChI=1S/C6H5ClN2O3/c1-12-5-3-8-6(7)2-4(5)9(10)11/h2-3H,1H3 |
| InChI Key | SOTUUOMAUMXUML-UHFFFAOYSA-N |
| MDL Number | MFCD28400599 |
| Molecular Formula | C6H5ClN2O3 |
| Molecular Weight | 188.5685 |
| SMILES | O=[N+](C1=CC(Cl)=NC=C1OC)[O-] |
| Synonyms | 2-chloro-5-methoxy-4-nitropyridine,
1805667-69-9,
ZINC261494245,
FCH3805332,
Pyridine, 2-chloro-5-methoxy-4-nitro-,
AK368919,
AX8327938,
22353-52-2,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.567g/mol |
| Monoisotopic Mass | 187.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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