| CAS Number | 2096331-49-4 |
| Catalog Number | AG01EHC3 |
| Chemical Name | 2-(Benzyloxy)-4-fluoro-5-methylphenylboronic acid |
| IUPAC Name | (4-fluoro-5-methyl-2-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C14H14BFO3/c1-10-7-12(15(17)18)14(8-13(10)16)19-9-11-5-3-2-4-6-11/h2-8,17-18H,9H2,1H3 |
| InChI Key | YYDQCNDNFRBVGM-UHFFFAOYSA-N |
| MDL Number | MFCD20441835 |
| Molecular Formula | C14H14BFO3 |
| Molecular Weight | 260.0686 |
| SMILES | OB(c1cc(C)c(cc1OCc1ccccc1)F)O |
| Synonyms | 2-(Benzyloxy)-4-fluoro-5-methylphenylboronic acid,
2096331-49-4,
(2-(Benzyloxy)-4-fluoro-5-methylphenyl)boronic acid,
MFCD20231448,
ZINC169955306,
Y2161,
B-9488,
C14H14BFO3,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.071g/mol |
| Monoisotopic Mass | 260.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number