| CAS Number | 2096336-43-3 |
| Catalog Number | AG01EHDI |
| Chemical Name | 2-Fluoro-5-nitro-3-(trifluoromethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 2-[2-fluoro-5-nitro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H14BF4NO4/c1-11(2)12(3,4)23-14(22-11)9-6-7(19(20)21)5-8(10(9)15)13(16,17)18/h5-6H,1-4H3 |
| InChI Key | MAXOMANZLLMOOF-UHFFFAOYSA-N |
| MDL Number | MFCD20491444 |
| Molecular Formula | C13H14BF4NO4 |
| Molecular Weight | 335.0592 |
| SMILES | FC(C1=C(F)C(B2OC(C)(C)C(C)(C)O2)=CC([N+]([O-])=O)=C1)(F)F |
| Synonyms | 2-Fluoro-5-nitro-3-(trifluoromethyl)phenylboronic acid, pinacol ester,
2096336-43-3,
2-(2-Fluoro-5-nitro-3-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD20491444,
AKOS027353111,
ZINC169955897,
B-9668,
N/A,
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| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.062g/mol |
| Monoisotopic Mass | 335.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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