| CAS Number | 886362-60-3 |
| Catalog Number | AG00GSNN(AGN-PC-0VMVF3) |
| Chemical Name | N-Boc-beta-alanine-beta-4'-fluorophenyl-n-carboxyanhydride |
| IUPAC Name | tert-butyl 4-(4-fluorophenyl)-2,6-dioxo-1,3-oxazinane-3-carboxylate |
| InChI | InChI=1S/C15H16FNO5/c1-15(2,3)22-14(20)17-11(8-12(18)21-13(17)19)9-4-6-10(16)7-5-9/h4-7,11H,8H2,1-3H3 |
| InChI Key | LCWQGJQRFTXUSX-UHFFFAOYSA-N |
| MDL Number | MFCD03839895 |
| Molecular Formula | C15H16FNO5 |
| Molecular Weight | 309.2896 |
| SMILES | FC1C=CC(=CC=1)C1CC(=O)OC(N1C(=O)OC(C)(C)C)=O |
| Synonyms | 886362-60-3,
N-Boc-beta-alanine-beta-4'-fluorophenyl-N-carboxyanhydride,
tert-butyl 4-(4-fluorophenyl)-2,6-dioxo-1,3-oxazinane-3-carboxylate,
N-Boc-belta-alanine-belta-4'-fluorophenyl-N-carboxyanhydride,
4-(4-fluoro-phenyl)-2,6-dioxo-[1,3]oxazinane-3-carboxylic acid tert-butyl ester,
tert-butyl-4-(4-fluorophenyl)-2,6-dioxo-1,3-oxazinane-3-carboxylate,
CTK7H6900,
DTXSID10661444,
MFCD03839895,
AKOS025312460,
CB-1889,
AX8143658,
RT-014340,
X-1564,
A13486,
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| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.293g/mol |
| Monoisotopic Mass | 309.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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