| CAS Number | 2096332-66-8 |
| Catalog Number | AG01EHDO |
| Chemical Name | 2-Fluoro-3-isopropoxy-4-methoxyphenylboronic acid |
| IUPAC Name | (2-fluoro-4-methoxy-3-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BFO4/c1-6(2)16-10-8(15-3)5-4-7(9(10)12)11(13)14/h4-6,13-14H,1-3H3 |
| InChI Key | DLJYDMNOMNUFOR-UHFFFAOYSA-N |
| MDL Number | MFCD18914511 |
| Molecular Formula | C10H14BFO4 |
| Molecular Weight | 228.0252 |
| SMILES | COc1ccc(c(c1OC(C)C)F)B(O)O |
| Synonyms | 2-Fluoro-3-isopropoxy-4-methoxyphenylboronic acid,
2096332-66-8,
(2-Fluoro-3-isopropoxy-4-methoxyphenyl)boronic acid,
MFCD18914511,
ZINC169951677,
Y2328,
A-3024,
C10H14BFO4,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.026g/mol |
| Monoisotopic Mass | 228.097g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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