| CAS Number | 2096339-86-3 |
| Catalog Number | AG01EHNI |
| Chemical Name | 3-Chloro-5-ethoxy-4-fluorophenylboronic acid |
| IUPAC Name | (3-chloro-5-ethoxy-4-fluorophenyl)boronic acid |
| InChI | InChI=1S/C8H9BClFO3/c1-2-14-7-4-5(9(12)13)3-6(10)8(7)11/h3-4,12-13H,2H2,1H3 |
| InChI Key | VKAFYCSFDIBYHK-UHFFFAOYSA-N |
| MDL Number | MFCD20441834 |
| Molecular Formula | C8H9BClFO3 |
| Molecular Weight | 218.4177 |
| SMILES | OB(C1=CC(OCC)=C(F)C(Cl)=C1)O |
| Synonyms | 3-Chloro-5-ethoxy-4-fluorophenylboronic acid,
2096339-86-3,
(3-chloro-5-ethoxy-4-fluorophenyl)boronic acid,
MFCD20441834,
ZINC169955526,
Y2550,
B-9655,
C8H9BClFO3,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.415g/mol |
| Monoisotopic Mass | 218.032g/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