| CAS Number | 1104637-65-1 |
| Catalog Number | AG003GKQ(AGN-PC-0WG52E) |
| Chemical Name | 2-Benzofuranylboronic acid MIDA ester |
| IUPAC Name | 2-(1-benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| InChI | InChI=1S/C13H12BNO5/c1-15-7-12(16)19-14(20-13(17)8-15)11-6-9-4-2-3-5-10(9)18-11/h2-6H,7-8H2,1H3 |
| InChI Key | ASPDKYQZQMDSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD11215209 |
| Molecular Formula | C13H12BNO5 |
| Molecular Weight | 273.0491 |
| SMILES | O=C1[O-][B+3]2([O-]C(=O)C[N]2(C)C1)[C-]=3OC=4C=CC=CC4C3 |
| Synonyms | 2-Benzofuranylboronic acid MIDA ester,
1104637-65-1,
DTXSID50746284,
2-Benzofuranboronic acid MIDA ester,
ZINC170161861,
2-Benzofuranylboronic acid MIDA ester, 97%,
2-(Benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
2-(1-Benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
Benzofuran-2-ylboronic acid methyliminobis(1-oxo-2,1-ethanediyl) ester,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.051g/mol |
| Monoisotopic Mass | 273.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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