| CAS Number | 81982-56-1 |
| Catalog Number | AG008L13(AGN-PC-02ZF0T) |
| Chemical Name | 3-((tert-Butoxycarbonyl)amino)-4,4-difluorobutanoic acid |
| IUPAC Name | 4,4-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(10)11)4-6(13)14/h5,7H,4H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | XHWAYUNOUVDRCD-UHFFFAOYSA-N |
| MDL Number | MFCD27940624 |
| Molecular Formula | C9H15F2NO4 |
| Molecular Weight | 239.2165 |
| SMILES | CC(OC(NC(C(F)F)CC(O)=O)=O)(C)C |
| Synonyms | 81982-56-1,
3-((tert-Butoxycarbonyl)amino)-4,4-difluorobutanoic acid,
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-,
3-[(tert-Butoxycarbonyl)amino]-4,4-difluorobutanoic acid,
SCHEMBL10966087,
CTK3E3543,
DTXSID90607567,
XHWAYUNOUVDRCD-UHFFFAOYSA-N,
AKOS030570753,
4,4-Difluoro-3-tert.-butoxycarbonylamino-butanoic acid,
F2147-8284,
3-{[(tert-butoxy)carbonyl]amino}-4,4-difluorobutanoic acid,
3-tert-Butoxycarbonylamino-4,4-difluoro-butyric acid,
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| Complexity | 263 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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