| CAS Number | 1956363-89-5 |
| Catalog Number | AG01DJBB |
| Chemical Name | tert-Butyl (2-chloro-5-(trifluoromethyl)pyridin-4-yl)carbamate |
| IUPAC Name | tert-butyl N-[2-chloro-5-(trifluoromethyl)pyridin-4-yl]carbamate |
| InChI | InChI=1S/C11H12ClF3N2O2/c1-10(2,3)19-9(18)17-7-4-8(12)16-5-6(7)11(13,14)15/h4-5H,1-3H3,(H,16,17,18) |
| InChI Key | VOJQOLWGMPXHIW-UHFFFAOYSA-N |
| MDL Number | MFCD29059332 |
| Molecular Formula | C11H12ClF3N2O2 |
| Molecular Weight | 296.6734 |
| SMILES | CC(C)(C)OC(=O)Nc1cc(Cl)ncc1C(F)(F)F |
| Synonyms | 1956363-89-5,
tert-Butyl (2-chloro-5-(trifluoromethyl)pyridin-4-yl)carbamate,
MFCD29059332,
ZINC261508656,
CS-0060999,
t-Butyl (2-chloro-5-(trifluoromethyl)pyridin-4-yl)carbamate,
TERT-BUTYL N-[2-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-4-YL]CARBAMATE,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.674g/mol |
| Monoisotopic Mass | 296.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number