| CAS Number | 1354223-67-8 |
| Catalog Number | AG009F1H(AGN-PC-0WNVY0) |
| Chemical Name | tert-butyl 2-chloro-5-fluoropyridin-4-ylcarbaMate |
| IUPAC Name | tert-butyl N-(2-chloro-5-fluoropyridin-4-yl)carbamate |
| InChI | InChI=1S/C10H12ClFN2O2/c1-10(2,3)16-9(15)14-7-4-8(11)13-5-6(7)12/h4-5H,1-3H3,(H,13,14,15) |
| InChI Key | BMGCIYPWZVRMRW-UHFFFAOYSA-N |
| MDL Number | MFCD22380477 |
| Molecular Formula | C10H12ClFN2O2 |
| Molecular Weight | 246.6659 |
| SMILES | CC(C)(C)OC(=O)NC1=CC(=NC=C1F)Cl |
| Synonyms | 1354223-67-8,
TERT-BUTYL 2-CHLORO-5-FLUOROPYRIDIN-4-YLCARBAMATE,
tert-Butyl (2-chloro-5-fluoropyridin-4-yl)carbamate,
4-N-Boc-amino-2-chloro-5-fluoropyridine,
SCHEMBL3344049,
DTXSID00857137,
BMGCIYPWZVRMRW-UHFFFAOYSA-N,
MFCD22380477,
ZINC95616366,
AKOS027251497,
AS-30663,
AB0071024,
C-0036,
tert-butyl N-(2-chloro-5-fluoropyridin-4-yl)carbamate,
tert-butyl 2-chloro-5-fluoropyridin-4-ylcarbamate, 95% - 1G 1g,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.666g/mol |
| Monoisotopic Mass | 246.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number