| CAS Number | 2235384-35-5 |
| Catalog Number | AG01EHBQ |
| Chemical Name | 5-Carboxy-2-fluorophenylboronic acid pinacol ester |
| IUPAC Name | 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| InChI | InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-7-8(11(16)17)5-6-10(9)15/h5-7H,1-4H3,(H,16,17) |
| InChI Key | QEPDYRIGALCVFX-UHFFFAOYSA-N |
| MDL Number | MFCD23098802 |
| Molecular Formula | C13H16BFO4 |
| Molecular Weight | 266.0731 |
| SMILES | O=C(O)C1=CC=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 5-Carboxy-2-fluorophenylboronic acid pinacol ester,
4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid,
ZINC238791282,
2235384-35-5,
N/A,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.112567g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.07g/mol |
| Monoisotopic Mass | 266.112567g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number