| CAS Number | 1060801-67-3 |
| Catalog Number | AG00HAQY(AGN-PC-0WNOEZ) |
| Chemical Name | 3-Pyridinecarboxaldehyde, 6-chloro-5-methoxy- |
| IUPAC Name | 6-chloro-5-methoxypyridine-3-carbaldehyde |
| InChI | InChI=1S/C7H6ClNO2/c1-11-6-2-5(4-10)3-9-7(6)8/h2-4H,1H3 |
| InChI Key | SIUZYEAMJQXUQU-UHFFFAOYSA-N |
| MDL Number | MFCD13189003 |
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.5810 |
| SMILES | O(C)c1cc(C=O)cnc1Cl |
| Synonyms | 6-CHLORO-5-METHOXYNICOTINALDEHYDE,
1060801-67-3,
6-Chloro-5-methoxypyridine-3-carbaldehyde,
MFCD13189003,
ZINC95761294,
AKOS026672412,
AB67544,
FCH1182053,
AX8330005,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.58g/mol |
| Monoisotopic Mass | 171.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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