| CAS Number | 2096331-77-8 |
| Catalog Number | AG01EHFA |
| Chemical Name | 3-Chloro-4-fluoro-5-isopropoxyphenylboronic acid |
| IUPAC Name | (3-chloro-4-fluoro-5-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BClFO3/c1-5(2)15-8-4-6(10(13)14)3-7(11)9(8)12/h3-5,13-14H,1-2H3 |
| InChI Key | OLVVISTZKBAJPC-UHFFFAOYSA-N |
| MDL Number | MFCD20441835 |
| Molecular Formula | C9H11BClFO3 |
| Molecular Weight | 232.4442 |
| SMILES | OB(C1=CC(OC(C)C)=C(F)C(Cl)=C1)O |
| Synonyms | 3-Chloro-4-fluoro-5-isopropoxyphenylboronic acid,
2096331-77-8,
(3-Chloro-4-fluoro-5-isopropoxyphenyl)boronic acid,
MFCD20441835,
ZINC169955528,
Y2540,
B-9656,
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
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