| CAS Number | 2246736-67-2 |
| Catalog Number | AG01FL77(AGN-PC-3H4B28) |
| Chemical Name | 2-(3-((4-bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[3-[(4-bromo-2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H21BBrFO3/c1-18(2)19(3,4)25-20(24-18)14-7-5-6-13(10-14)12-23-17-9-8-15(21)11-16(17)22/h5-11H,12H2,1-4H3 |
| InChI Key | CRCKDLZBDKWIQN-UHFFFAOYSA-N |
| MDL Number | MFCD31916481 |
| Molecular Formula | C19H21BBrFO3 |
| Molecular Weight | 407.0816 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC(COC3=CC=C(Br)C=C3F)=C2)O1 |
| Synonyms | 2246736-67-2,
2-(3-((4-bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2-{3-[(4-bromo-2-fluorophenoxy)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
AS-55534,
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| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.086g/mol |
| Monoisotopic Mass | 406.075g/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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