| CAS Number | 1648930-13-5 |
| Catalog Number | AG01FFXK(AGN-PC-3H4AHE) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[3-[(4-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[3-[(4-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H22BFO3/c1-18(2)19(3,4)24-20(23-18)15-7-5-6-14(12-15)13-22-17-10-8-16(21)9-11-17/h5-12H,13H2,1-4H3 |
| InChI Key | IDTNRIFLTBTFMV-UHFFFAOYSA-N |
| MDL Number | MFCD31916453 |
| Molecular Formula | C19H22BFO3 |
| Molecular Weight | 328.1856 |
| SMILES | FC1=CC=C(OCC=2C=C(C=CC2)B2OC(C(O2)(C)C)(C)C)C=C1 |
| Synonyms | 1648930-13-5,
AS-55484,
1,3,2-Dioxaborolane, 2-[3-[(4-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-,
2-{3-[(4-fluorophenoxy)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.19g/mol |
| Monoisotopic Mass | 328.165g/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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