| CAS Number | 2246772-09-6 |
| Catalog Number | AG01EHYF |
| Chemical Name | Benzonitrile, 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]- |
| IUPAC Name | 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]benzonitrile |
| InChI | InChI=1S/C20H22BNO3/c1-19(2)20(3,4)25-21(24-19)17-10-7-11-18(12-17)23-14-16-9-6-5-8-15(16)13-22/h5-12H,14H2,1-4H3 |
| InChI Key | NZECDMMIVDMXGK-UHFFFAOYSA-N |
| MDL Number | MFCD31916442 |
| Molecular Formula | C20H22BNO3 |
| Molecular Weight | 335.2046 |
| SMILES | CC1(C)OB(OC1(C)C)c1cc(OCc2c(C#N)cccc2)ccc1 |
| Synonyms | 2246772-09-6,
AS-55467,
2-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}benzonitrile,
Benzonitrile, 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-,
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| Complexity | 496 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.21g/mol |
| Monoisotopic Mass | 335.169g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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