| CAS Number | 1258651-05-6 |
| Catalog Number | AG019RIJ(AGN-PC-0WOFF5) |
| Chemical Name | 4-{[(tert-butoxy)carbonyl]amino}-3,3-difluorobutanoic acid |
| IUPAC Name | 3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C9H15F2NO4/c1-8(2,3)16-7(15)12-5-9(10,11)4-6(13)14/h4-5H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | SHPUQCXPJRHLEK-UHFFFAOYSA-N |
| MDL Number | MFCD17977162 |
| Molecular Formula | C9H15F2NO4 |
| Molecular Weight | 239.2165 |
| SMILES | CC(OC(NCC(CC(O)=O)(F)F)=O)(C)C |
| Synonyms | 1258651-05-6,
4-{[(tert-butoxy)carbonyl]amino}-3,3-difluorobutanoic acid,
4-(tert-Butoxycarbonylamino)-3,3-difluorobutanoic acid,
4-((tert-Butoxycarbonyl)amino)-3,3-difluorobutanoic acid,
AC1Q1NDJ,
CTK8E4719,
ZINC57219088,
AKOS015855510,
TX-012694,
EN300-89784,
4-{[(tert-butoxy)carbonyl]amino}-3,3-difluorobutanoicacid,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.219g/mol |
| Monoisotopic Mass | 239.097g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number