| CAS Number | 2018286-71-8 |
| Catalog Number | AG00I3RX(AGN-PC-0WQZZN) |
| Chemical Name | 7-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one |
| IUPAC Name | 7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C14H17BFNO4/c1-13(2)14(3,4)21-15(20-13)8-5-10-11(6-9(8)16)19-7-12(18)17-10/h5-6H,7H2,1-4H3,(H,17,18) |
| InChI Key | MIJNRXJMZCWQSY-UHFFFAOYSA-N |
| MDL Number | MFCD23098822 |
| Molecular Formula | C14H17BFNO4 |
| Molecular Weight | 293.0985 |
| SMILES | FC=1C(=CC2=C(OCC(N2)=O)C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 7-Fluoro-3-oxo-2h,4h-benzo[b][1,4]oxazine-6-boronic acid pinacol ester,
2018286-71-8,
ZINC170007218,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.101g/mol |
| Monoisotopic Mass | 293.123g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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