| CAS Number | 2096340-11-1 |
| Catalog Number | AG01EHJ9 |
| Chemical Name | 3-Chloro-5-methylsulfonylphenylboronic acid, pinacol ester |
| IUPAC Name | 2-(3-chloro-5-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H18BClO4S/c1-12(2)13(3,4)19-14(18-12)9-6-10(15)8-11(7-9)20(5,16)17/h6-8H,1-5H3 |
| InChI Key | AUETUVRRZNVIMV-UHFFFAOYSA-N |
| MDL Number | MFCD18434457 |
| Molecular Formula | C13H18BClO4S |
| Molecular Weight | 316.6086 |
| SMILES | Clc1cc(cc(c1)S(=O)(=O)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-Chloro-5-methylsulfonylphenylboronic acid, pinacol ester,
2096340-11-1,
2-(3-Chloro-5-(methylsulfonyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18434457,
ZINC169936582,
B-9804,
N/A,
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| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.603g/mol |
| Monoisotopic Mass | 316.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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