| CAS Number | 2246589-58-0 |
| Catalog Number | AG01FPPJ(AGN-PC-3H5P2C) |
| Chemical Name | 2-(2-((5-bromo-2-methylphenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[2-[(5-bromo-2-methylphenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C20H24BBrO3/c1-14-10-11-16(22)12-18(14)23-13-15-8-6-7-9-17(15)21-24-19(2,3)20(4,5)25-21/h6-12H,13H2,1-5H3 |
| InChI Key | IUDDEXHBGXCCLX-UHFFFAOYSA-N |
| MDL Number | MFCD32206523 |
| Molecular Formula | C20H24BBrO3 |
| Molecular Weight | 403.1178 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC=C2COC3=CC(Br)=CC=C3C)O1 |
| Synonyms | AS-74072,
2-{2-[(5-bromo-2-methylphenoxy)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2246589-58-0,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.10019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.1g/mol |
| Monoisotopic Mass | 402.10019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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