| CAS Number | 1393442-53-9 |
| Catalog Number | AG009WSL(AGN-PC-0WAE0X) |
| Chemical Name | Methyl 6-(3-chloro-4-fluorophenyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 6-(3-chloro-4-fluorophenyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C13H9ClFNO2/c1-18-13(17)12-4-2-3-11(16-12)8-5-6-10(15)9(14)7-8/h2-7H,1H3 |
| InChI Key | YNPARECUCAOADO-UHFFFAOYSA-N |
| MDL Number | MFCD22383724 |
| Molecular Formula | C13H9ClFNO2 |
| Molecular Weight | 265.6675 |
| SMILES | COC(=O)c1cccc(n1)c1ccc(c(c1)Cl)F |
| Synonyms | Methyl 6-(3-chloro-4-fluorophenyl)pyridine-2-carboxylate,
1393442-53-9,
ZINC95495652,
AKOS026673198,
V2958,
B-9123,
C13H9ClFNO2,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.668g/mol |
| Monoisotopic Mass | 265.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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