| CAS Number | 1300645-77-5 |
| Catalog Number | AG01EHXI(AGN-PC-0INKJB) |
| Chemical Name | 3,4-dimethoxy-2-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}pyridine |
| IUPAC Name | 3,4-dimethoxy-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyridine |
| InChI | InChI=1S/C20H26BNO5/c1-19(2)20(3,4)27-21(26-19)14-7-9-15(10-8-14)25-13-16-18(24-6)17(23-5)11-12-22-16/h7-12H,13H2,1-6H3 |
| InChI Key | FSQUMXBFVYEYGZ-UHFFFAOYSA-N |
| MDL Number | MFCD31916437 |
| Molecular Formula | C20H26BNO5 |
| Molecular Weight | 371.2351 |
| SMILES | COC=1C(=NC=CC1OC)COC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1300645-77-5,
3,4-dimethoxy-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyridine,
3,4-dimethoxy-2-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}pyridine,
SCHEMBL6880210,
AS-55460,
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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 | 371.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.24g/mol |
| Monoisotopic Mass | 371.19g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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