| CAS Number | 1079402-39-3 |
| Catalog Number | AG01BCLH |
| Chemical Name | 2-[5-Fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H17BF4O3/c1-12(2)13(3,4)22-15(21-12)10-7-9(16)5-6-11(10)20-8-14(17,18)19/h5-7H,8H2,1-4H3 |
| InChI Key | OCWZJDZEQHSSMJ-UHFFFAOYSA-N |
| MDL Number | MFCD22494245 |
| Molecular Formula | C14H17BF4O3 |
| Molecular Weight | 320.0876 |
| SMILES | CC1(C(C)(C)OB(C2=C(OCC(F)(F)F)C=CC(F)=C2)O1)C |
| Synonyms | 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
1079402-39-3,
SCHEMBL263706,
ZINC200258214,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.091g/mol |
| Monoisotopic Mass | 320.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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