| CAS Number | 1072946-13-4 |
| Catalog Number | AG007WO7(AGN-PC-0WA8ME) |
| Chemical Name | 3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid |
| IUPAC Name | [3-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H14BFO3S/c1-19-12-5-2-10(3-6-12)9-20-14-7-4-11(15(17)18)8-13(14)16/h2-8,17-18H,9H2,1H3 |
| InChI Key | FUYZRHIGCBXJIX-UHFFFAOYSA-N |
| MDL Number | MFCD10699622 |
| Molecular Formula | C14H14BFO3S |
| Molecular Weight | 292.1336 |
| SMILES | COc1ccc(cc1)CSc1ccc(cc1F)B(O)O |
| Synonyms | 3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid,
1072946-13-4,
ACMC-2098rf,
C14H14BFO3S,
SCHEMBL2562862,
CTK4A5232,
DTXSID50674437,
ANW-15625,
AKOS015853229,
ZINC169903876,
PC412436,
TR-001557,
Z7033,
I01-11662,
(3-fluoro-4-((4-methoxybenzyl)thio)phenyl)boronic acid,
(3-Fluoro-4-{[(4-methoxyphenyl)methyl]sulfanyl}phenyl)boronic acid,
A-4546,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.131g/mol |
| Monoisotopic Mass | 292.074g/mol |
| Rotatable Bond Count | 5 |
| 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
Lot Number