| CAS Number | 1338326-90-1 |
| Catalog Number | AG00HT0T(AGN-PC-0WRADN) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[2-chloro-4-[(methylsulfonyl)methyl]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[2-chloro-4-(methylsulfonylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H20BClO4S/c1-13(2)14(3,4)20-15(19-13)11-7-6-10(8-12(11)16)9-21(5,17)18/h6-8H,9H2,1-5H3 |
| InChI Key | PZJLTNPWAZTIKO-UHFFFAOYSA-N |
| MDL Number | MFCD18760489 |
| Molecular Formula | C14H20BClO4S |
| Molecular Weight | 330.6352 |
| SMILES | Clc1cc(ccc1B1OC(C(O1)(C)C)(C)C)CS(=O)(=O)C |
| Synonyms | 1,3,2-Dioxaborolane, 2-[2-chloro-4-[(methylsulfonyl)methyl]phenyl]-4,4,5,5-tetramethyl-,
1338326-90-1,
SCHEMBL2522891,
PZJLTNPWAZTIKO-UHFFFAOYSA-N,
ZINC170017313,
2-(2-chloro-4-(methylsulfonylmethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.63g/mol |
| Monoisotopic Mass | 330.086g/mol |
| Rotatable Bond Count | 3 |
| 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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