| CAS Number | 1160430-66-9 |
| Catalog Number | AG01B4GF |
| Chemical Name | 6-(4-Chlorophenoxy)pyridine-3-carbaldehyde |
| IUPAC Name | 6-(4-chlorophenoxy)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C12H8ClNO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H |
| InChI Key | SMZLJRHNWGOQOS-UHFFFAOYSA-N |
| MDL Number | MFCD19690578 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| SMILES | c1(cnc(cc1)Oc1ccc(cc1)Cl)C=O |
| Synonyms | 6-(4-chlorophenoxy)pyridine-3-carbaldehyde,
1160430-66-9,
SCHEMBL6142793,
ZINC40538729,
AKOS017550228,
FT-0739181,
3-Pyridinecarboxaldehyde, 6-(4-chlorophenoxy)-,
6-(4-chlorophenoxy)-3-Pyridinecarboxaldehyde,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.651g/mol |
| Monoisotopic Mass | 233.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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