| CAS Number | 2246573-09-9 |
| Catalog Number | AG01FPQF(AGN-PC-3H5P2A) |
| Chemical Name | 2-(2-((4-bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[2-[(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)15-8-6-5-7-13(15)12-23-17-10-9-14(21)11-16(17)22/h5-11H,12H2,1-4H3 |
| InChI Key | XMQBWSMLPLFWOP-UHFFFAOYSA-N |
| MDL Number | MFCD32206524 |
| Molecular Formula | C19H21BBrFO3 |
| Molecular Weight | 407.0816 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC=C2COC3=CC=C(Br)C=C3F)O1 |
| Synonyms | AS-74073,
2-{2-[(4-bromo-2-fluorophenoxy)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2246573-09-9,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.07512g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.1g/mol |
| Monoisotopic Mass | 406.07512g/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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