| CAS Number | 1451391-66-4 |
| Catalog Number | AG00HXDI(AGN-PC-0WOA58) |
| Chemical Name | 6-Ethoxy-2-fluoro-3-methylphenylboronic acid |
| IUPAC Name | (6-ethoxy-2-fluoro-3-methylphenyl)boronic acid |
| InChI | InChI=1S/C9H12BFO3/c1-3-14-7-5-4-6(2)9(11)8(7)10(12)13/h4-5,12-13H,3H2,1-2H3 |
| InChI Key | JTSLXSWVFHCAPO-UHFFFAOYSA-N |
| MDL Number | MFCD19981512 |
| Molecular Formula | C9H12BFO3 |
| Molecular Weight | 197.9992 |
| SMILES | CCOc1ccc(c(c1B(O)O)F)C |
| Synonyms | 6-Ethoxy-2-fluoro-3-methylphenylboronic acid,
1451391-66-4,
MFCD19981512,
AKOS026673461,
ZINC169955183,
Z1585,
B-9214,
C9H12BFO3,
(6-ethoxy-2-fluoro-3-methylphenyl)boronic acid,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198g/mol |
| Monoisotopic Mass | 198.086g/mol |
| Rotatable Bond Count | 3 |
| 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