| CAS Number | 2096332-06-6 |
| Catalog Number | AG01EHH8 |
| Chemical Name | 5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester |
| IUPAC Name | 4-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| InChI | InChI=1S/C14H18BFO4/c1-8-6-9(12(17)18)7-10(11(8)16)15-19-13(2,3)14(4,5)20-15/h6-7H,1-5H3,(H,17,18) |
| InChI Key | PPXUZUPLUCKDDV-UHFFFAOYSA-N |
| MDL Number | MFCD19237207 |
| Molecular Formula | C14H18BFO4 |
| Molecular Weight | 280.0997 |
| SMILES | Cc1cc(cc(c1F)B1OC(C(O1)(C)C)(C)C)C(=O)O |
| Synonyms | 5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester,
2096332-06-6,
4-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid,
MFCD19237207,
ZINC169951811,
A-2798,
N/A,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.102g/mol |
| Monoisotopic Mass | 280.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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