| CAS Number | 1451392-39-4 |
| Catalog Number | AG01C002 |
| Chemical Name | [4-Fluoro-3-(methylsulfanyl)phenyl]boronic acid |
| IUPAC Name | (4-fluoro-3-methylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C7H8BFO2S/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3 |
| InChI Key | KCPJDAWNJZFHKI-UHFFFAOYSA-N |
| MDL Number | MFCD22543663 |
| Molecular Formula | C7H8BFO2S |
| Molecular Weight | 186.0116 |
| SMILES | CSC1=C(F)C=CC(B(O)O)=C1 |
| Synonyms | 1451392-39-4,
4-Fluoro-3-(methylthio)phenylboronic acid,
(4-Fluoro-3-(methylthio)phenyl)boronic acid,
[4-fluoro-3-(methylsulfanyl)phenyl]boronic acid,
MFCD22543663,
AKOS027425680,
ZINC169995365,
Z1515,
Q-8374,
C7H8BFO2S,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.007g/mol |
| Monoisotopic Mass | 186.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number