| CAS Number | 1104637-37-7 |
| Catalog Number | AG003P3X(AGN-PC-0WR1IE) |
| Chemical Name | Cyclobutylboronic acid MIDA ester |
| IUPAC Name | 2-cyclobutyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| InChI | InChI=1S/C9H14BNO4/c1-11-5-8(12)14-10(7-3-2-4-7)15-9(13)6-11/h7H,2-6H2,1H3 |
| InChI Key | FRGMPYGRMJGPAV-UHFFFAOYSA-N |
| MDL Number | MFCD15144797 |
| Molecular Formula | C9H14BNO4 |
| Molecular Weight | 211.0228 |
| SMILES | O=C(O1)C[N+](C2)(C)[B-]1(C3CCC3)OC2=O |
| Synonyms | Cyclobutylboronic acid MIDA ester,
1104637-37-7,
2-Cyclobutyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
DTXSID70746387,
ZINC170163171,
Cyclobutylboronic acid MIDA ester, 97%,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.024g/mol |
| Monoisotopic Mass | 211.102g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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