| CAS Number | 1339544-40-9 |
| Catalog Number | AG01DYNW |
| Chemical Name | Tert-butyl 2-fluoropyridine-4-carboxylate |
| IUPAC Name | tert-butyl 2-fluoropyridine-4-carboxylate |
| InChI | InChI=1S/C10H12FNO2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3 |
| InChI Key | KQNXSWQMRTXJJB-UHFFFAOYSA-N |
| MDL Number | MFCD18897596 |
| Molecular Formula | C10H12FNO2 |
| Molecular Weight | 197.2062 |
| SMILES | CC(OC(C1=CC(F)=NC=C1)=O)(C)C |
| Synonyms | tert-Butyl 2-fluoroisonicotinate,
2-Fluoro-isonicotinic acid tert-butyl ester,
1339544-40-9,
SCHEMBL14263091,
MFCD18897596,
ZINC82643219,
AKOS013152471,
FS-6614,
tert-butyl 2-fluoropyridine-4-carboxylate,
4-Pyridinecarboxylic acid, 2-fluoro-, 1,1-dimethylethyl e,
N/A,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.209g/mol |
| Monoisotopic Mass | 197.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number