| CAS Number | 2096335-18-9 |
| Catalog Number | AG01EHJL |
| Chemical Name | 3-Chloro-5-fluoro-4-isopropoxyphenylboronic acid |
| IUPAC Name | (3-chloro-5-fluoro-4-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BClFO3/c1-5(2)15-9-7(11)3-6(10(13)14)4-8(9)12/h3-5,13-14H,1-2H3 |
| InChI Key | FFHISCUVPDXONS-UHFFFAOYSA-N |
| MDL Number | MFCD20441800 |
| Molecular Formula | C9H11BClFO3 |
| Molecular Weight | 232.4442 |
| SMILES | ClC=1C=C(C=C(C1OC(C)C)F)B(O)O |
| Synonyms | 3-Chloro-5-fluoro-4-isopropoxyphenylboronic acid,
2096335-18-9,
5-Chloro-3-fluoro-4-isopropoxyphenylboronic acid,
(3-Chloro-5-fluoro-4-isopropoxyphenyl)boronic acid,
MFCD20441800,
AKOS027363844,
ZINC169955318,
Y2555,
B-9298,
C9H11BClFO3,
N/A,
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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
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