| CAS Number | 1261488-16-7 |
| Catalog Number | AG00A0RG(AGN-PC-0WO3VW) |
| Chemical Name | 4-Chloro-5-iodo-2-methoxy-pyridine |
| IUPAC Name | 4-chloro-5-iodo-2-methoxypyridine |
| InChI | InChI=1S/C6H5ClINO/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,1H3 |
| InChI Key | XCHKCEXIINJBAJ-UHFFFAOYSA-N |
| MDL Number | MFCD18415722 |
| Molecular Formula | C6H5ClINO |
| Molecular Weight | 269.4675 |
| SMILES | COC1=NC=C(I)C(Cl)=C1 |
| Synonyms | 4-chloro-5-iodo-2-methoxypyridine,
1261488-16-7,
4-Chloro-5-iodo-2-methoxy-pyridine,
SCHEMBL1485336,
XCHKCEXIINJBAJ-UHFFFAOYSA-N,
MFCD18415722,
ZINC79066650,
AKOS026727342,
Pyridine,4-chloro-5-iodo-2-methoxy-,
NE47557,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.466g/mol |
| Monoisotopic Mass | 268.91g/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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