| CAS Number | 2246545-69-5 |
| Catalog Number | AG01FFY0(AGN-PC-3H4AHO) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[4-[(4-bromophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[4-[(4-bromophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H22BBrO3/c1-18(2)19(3,4)24-20(23-18)15-7-5-14(6-8-15)13-22-17-11-9-16(21)10-12-17/h5-12H,13H2,1-4H3 |
| InChI Key | ONPCZFWQFVANAV-UHFFFAOYSA-N |
| MDL Number | MFCD31916459 |
| Molecular Formula | C19H22BBrO3 |
| Molecular Weight | 389.0912 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(COC3=CC=C(Br)C=C3)C=C2)O1 |
| Synonyms | 2246545-69-5,
AS-55492,
1,3,2-Dioxaborolane, 2-[4-[(4-bromophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-,
2-{4-[(4-bromophenoxy)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.096g/mol |
| Monoisotopic Mass | 388.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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