| CAS Number | 745833-06-1 |
| Catalog Number | AG00ICJG(AGN-PC-03585H) |
| Chemical Name | Methyl 6-chloro-2-(4-fluorophenyl)nicotinate |
| IUPAC Name | methyl 6-chloro-2-(4-fluorophenyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C13H9ClFNO2/c1-18-13(17)10-6-7-11(14)16-12(10)8-2-4-9(15)5-3-8/h2-7H,1H3 |
| InChI Key | BOPGURALGGUNMA-UHFFFAOYSA-N |
| MDL Number | MFCD04112539 |
| Molecular Formula | C13H9ClFNO2 |
| Molecular Weight | 265.6675 |
| SMILES | COC(=O)C1=CC=C(Cl)N=C1C1=CC=C(F)C=C1 |
| Synonyms | 745833-06-1,
METHYL 6-CHLORO-2-(4-FLUOROPHENYL)NICOTINATE,
6-Chloro-2-(4-fluoro-phenyl)-nicotinic acid methyl ester,
SCHEMBL2513073,
DTXSID90610415,
BOPGURALGGUNMA-UHFFFAOYSA-N,
ZINC2526735,
MFCD04112539,
AS-37571,
Methyl 6-chloro-2-(4-fluorophenyl)pyridine-3-carboxylate,
|
| Complexity | 295 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number