| CAS Number | 2096998-37-5 |
| Catalog Number | AG01EHLC |
| Chemical Name | 2-Fluoro-3-methoxy-6-nitrophenylboronic acid pinacol ester |
| IUPAC Name | 2-(2-fluoro-3-methoxy-6-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BFNO5/c1-12(2)13(3,4)21-14(20-12)10-8(16(17)18)6-7-9(19-5)11(10)15/h6-7H,1-5H3 |
| InChI Key | SRUIWVYKRDAECT-UHFFFAOYSA-N |
| MDL Number | MFCD22375098 |
| Molecular Formula | C13H17BFNO5 |
| Molecular Weight | 297.0872 |
| SMILES | COc1ccc(c(c1F)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-] |
| Synonyms | 2-Fluoro-3-methoxy-6-nitrophenylboronic acid pinacol ester,
2096998-37-5,
2-(2-Fluoro-3-methoxy-6-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD22375098,
ZINC209792129,
B-9109,
N/A,
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| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.089g/mol |
| Monoisotopic Mass | 297.118g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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