| CAS Number | 2246637-22-7 |
| Catalog Number | AG01FFXS(AGN-PC-3H4AHJ) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[3-[(3,5-difluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[3-[(3,5-difluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H21BF2O3/c1-18(2)19(3,4)25-20(24-18)14-6-5-7-17(10-14)23-12-13-8-15(21)11-16(22)9-13/h5-11H,12H2,1-4H3 |
| InChI Key | JZPTWRNSSVDPEN-UHFFFAOYSA-N |
| MDL Number | MFCD31916455 |
| Molecular Formula | C19H21BF2O3 |
| Molecular Weight | 346.1760 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC(OCC3=CC(F)=CC(F)=C3)=C2)O1 |
| Synonyms | 2246637-22-7,
AS-55487,
1,3,2-Dioxaborolane, 2-[3-[(3,5-difluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-,
2-{3-[(3,5-difluorophenyl)methoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.181g/mol |
| Monoisotopic Mass | 346.155g/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
Lot Number