| CAS Number | 2096339-37-4 |
| Catalog Number | AG01EHNU |
| Chemical Name | 5-Chloro-2-fluoro-3-isopropoxyphenylboronic acid |
| IUPAC Name | (5-chloro-2-fluoro-3-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BClFO3/c1-5(2)15-8-4-6(11)3-7(9(8)12)10(13)14/h3-5,13-14H,1-2H3 |
| InChI Key | BMPKFAWGRCUCJE-UHFFFAOYSA-N |
| MDL Number | MFCD20529454 |
| Molecular Formula | C9H11BClFO3 |
| Molecular Weight | 232.4442 |
| SMILES | CC(Oc1cc(Cl)cc(c1F)B(O)O)C |
| Synonyms | 5-Chloro-2-fluoro-3-isopropoxyphenylboronic acid,
2096339-37-4,
(5-Chloro-2-fluoro-3-isopropoxyphenyl)boronic acid,
MFCD20529454,
AKOS027357185,
ZINC169955476,
Y2825,
B-9445,
C9H11BClFO3,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.442g/mol |
| Monoisotopic Mass | 232.047g/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