| CAS Number | 2096331-78-9 |
| Catalog Number | AG01EHIX |
| Chemical Name | 2-(Methoxymethoxy)-5-(trifluoromethylthio)phenylboronic acid |
| IUPAC Name | [2-(methoxymethoxy)-5-(trifluoromethylsulfanyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H10BF3O4S/c1-16-5-17-8-3-2-6(18-9(11,12)13)4-7(8)10(14)15/h2-4,14-15H,5H2,1H3 |
| InChI Key | UUYHJHRNKQGYOI-UHFFFAOYSA-N |
| MDL Number | MFCD18837607 |
| Molecular Formula | C9H10BF3O4S |
| Molecular Weight | 282.0445 |
| SMILES | COCOC1=C(C=C(C=C1)SC(F)(F)F)B(O)O |
| Synonyms | 2-(Methoxymethoxy)-5-(trifluoromethylthio)phenylboronic acid,
2096331-78-9,
(2-(Methoxymethoxy)-5-((trifluoromethyl)thio)phenyl)boronic acid,
C9H10BF3O4S,
MFCD18837607,
ZINC169951625,
Y2183,
A-3065,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.04g/mol |
| Monoisotopic Mass | 282.034g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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