| CAS Number | 957065-83-7 |
| Catalog Number | AG005YDM(AGN-PC-0W5BH2) |
| Chemical Name | (3-Fluoro-2-methoxy-5-(methylthio)phenyl)boronic acid |
| IUPAC Name | (3-fluoro-2-methoxy-5-methylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C8H10BFO3S/c1-13-8-6(9(11)12)3-5(14-2)4-7(8)10/h3-4,11-12H,1-2H3 |
| InChI Key | MFVOICXWNBMJAT-UHFFFAOYSA-N |
| MDL Number | MFCD09878322 |
| Molecular Formula | C8H10BFO3S |
| Molecular Weight | 216.0376 |
| SMILES | COC1=C(C=C(SC)C=C1F)B(O)O |
| Synonyms | 957065-83-7,
(3-Fluoro-2-methoxy-5-(methylthio)phenyl)boronic acid,
3-Fluoro-2-methoxy-5-(methylthio)benzeneboronic acid,
C8H10BFO3S,
ZX-AP000186,
MFCD09878322,
PC8339,
SBB095196,
AKOS016014889,
ZINC169806936,
FCH1327491,
PS-9535,
AX8251638,
V9757,
3-fluoro-2-methoxy-5-(methylsulfanyl)phenylboronic acid,
[3-fluoro-2-methoxy-5-(methylsulfanyl)phenyl]boronic acid,
3-Fluoro-2-methoxy-5- benzeneboronicacid,
3-FLUORO-2-METHOXY-5-METHYLTHIOPHENYLBORONIC ACID,
B-4148,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.033g/mol |
| Monoisotopic Mass | 216.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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