| CAS Number | 1214391-95-3 |
| Catalog Number | AG0014Z3(AGN-PC-0WCZ0M) |
| Chemical Name | Pyridine, 3,6-dichloro-2-methoxy- |
| IUPAC Name | 3,6-dichloro-2-methoxypyridine |
| InChI | InChI=1S/C6H5Cl2NO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3 |
| InChI Key | MLNLHTOIRALQJI-UHFFFAOYSA-N |
| MDL Number | MFCD13185545 |
| Molecular Formula | C6H5Cl2NO |
| Molecular Weight | 178.0160 |
| SMILES | COc1nc(Cl)ccc1Cl |
| Synonyms | 3,6-Dichloro-2-methoxypyridine,
1214391-95-3,
Pyridine, 3,6-dichloro-2-methoxy-,
SCHEMBL19407671,
AKOS027356076,
ZINC238385296,
FCH1140844,
AX8311226,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.012g/mol |
| Monoisotopic Mass | 176.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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