5-Fluoro-2-(methoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 1400976-17-1
Catalog: |
BB063413 |
Product Name: |
5-Fluoro-2-(methoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
1400976-17-1 |
Synonyms: |
5-Fluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester; METHYL 4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE; 5-FLUORO-2-(METHOXYCORBONYL)PHENYLBORONIC ACID PINACOL ESTER |
IUPAC Name: | methyl 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Molecular Weight: | 280.1 |
Molecular Formula: | C14H18BFO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)C(=O)OC |
InChI: | InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)11-8-9(16)6-7-10(11)12(17)18-5/h6-8H,1-5H3 |
InChI Key: | RVMVLLXHYRJPOK-UHFFFAOYSA-N |
References: | Auvil, T. J., et al. Synthesis, 44, 2173 (2012). |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.1282174 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.1282174 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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