| CAS Number | 2096331-89-2 |
| Catalog Number | AG01EHDV |
| Chemical Name | 4-(Ethoxymethylthio)phenylboronic acid |
| IUPAC Name | [4-(ethoxymethylsulfanyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H13BO3S/c1-2-13-7-14-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3 |
| InChI Key | VRJFNCNDSGOOGS-UHFFFAOYSA-N |
| MDL Number | MFCD19237160 |
| Molecular Formula | C9H13BO3S |
| Molecular Weight | 212.0737 |
| SMILES | B(c1ccc(cc1)SCOCC)(O)O |
| Synonyms | 4-(Ethoxymethylthio)phenylboronic acid,
2096331-89-2,
(4-((Ethoxymethyl)thio)phenyl)boronic acid,
C9H13BO3S,
MFCD19237160,
AKOS027349026,
ZINC169951545,
Y2647,
A-2823,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.07g/mol |
| Monoisotopic Mass | 212.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number