| CAS Number | 1227597-40-1 |
| Catalog Number | AG00HGXF(AGN-PC-0WR83U) |
| Chemical Name | 2,4-Dichloro-5-Methoxypyridine |
| IUPAC Name | 2,4-dichloro-5-methoxypyridine |
| InChI | InChI=1S/C6H5Cl2NO/c1-10-5-3-9-6(8)2-4(5)7/h2-3H,1H3 |
| InChI Key | ICBLEAHKUGCSLD-UHFFFAOYSA-N |
| MDL Number | MFCD16610792 |
| Molecular Formula | C6H5Cl2NO |
| Molecular Weight | 178.0160 |
| SMILES | COC1=CN=C(Cl)C=C1Cl |
| Synonyms | 2,4-Dichloro-5-methoxypyridine,
1227597-40-1,
SCHEMBL20225783,
Pyridine, 2,4-dichloro-5-methoxy-,
ZINC95932380,
DA-14031,
AJ-137536,
FT-0717842,
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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 | 2.4 |
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Certificate of Analysis
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