| CAS Number | 849069-30-3 |
| Catalog Number | AG00GPBL(AGN-PC-0UVAIY) |
| Chemical Name | ethyl 2-(2-fluoropyridin-3-yl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(2-fluoropyridin-3-yl)-2-oxoacetate |
| InChI | InChI=1S/C9H8FNO3/c1-2-14-9(13)7(12)6-4-3-5-11-8(6)10/h3-5H,2H2,1H3 |
| InChI Key | FDSOHOMXMPVURY-UHFFFAOYSA-N |
| MDL Number | MFCD11976835 |
| Molecular Formula | C9H8FNO3 |
| Molecular Weight | 197.1631 |
| SMILES | c1cnc(c(c1)C(=O)C(=O)OCC)F |
| Synonyms | ETHYL 2-(2-FLUOROPYRIDIN-3-YL)-2-OXOACETATE,
849069-30-3,
SCHEMBL4831449,
FDSOHOMXMPVURY-UHFFFAOYSA-N,
ZINC75865427,
AKOS023104724,
NE50075,
SB13719,
SC-32315,
ethyl 2-(2-fluoro-3-pyridyl)-2-oxo-acetate,
3-Pyridineacetic acid, 2-fluoro-alpha-oxo-, ethyl ester,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.165g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number