| CAS Number | 1402238-31-6 |
| Catalog Number | AG009WUT(AGN-PC-0WAADU) |
| Chemical Name | 4-Fluoro-2-(methylsulfonyl)phenylboronic acid |
| IUPAC Name | (4-fluoro-2-methylsulfonylphenyl)boronic acid |
| InChI | InChI=1S/C7H8BFO4S/c1-14(12,13)7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3 |
| InChI Key | KAVXXYBTIPXTRQ-UHFFFAOYSA-N |
| MDL Number | MFCD18311843 |
| Molecular Formula | C7H8BFO4S |
| Molecular Weight | 218.0104 |
| SMILES | Fc1ccc(c(c1)S(=O)(=O)C)B(O)O |
| Synonyms | 4-FLUORO-2-(METHYLSULFONYL)PHENYLBORONIC ACID,
1402238-31-6,
SCHEMBL6647490,
MFCD18311843,
AKOS025293806,
ZINC169934797,
FCH1366890,
PC412455,
V3042,
B-9178,
C7H8BFO4S,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.005g/mol |
| Monoisotopic Mass | 218.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83A^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