| CAS Number | 1352426-91-5 |
| Catalog Number | AG009WU1(AGN-PC-0WABAR) |
| Chemical Name | 5-Chloro-2-methylphenylboronic acid, pinacol ester |
| IUPAC Name | 2-(5-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H18BClO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3 |
| InChI Key | MDQXWEUUJCYVMT-UHFFFAOYSA-N |
| MDL Number | MFCD18729896 |
| Molecular Formula | C13H18BClO2 |
| Molecular Weight | 252.5448 |
| SMILES | c1(ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C)Cl |
| Synonyms | 1352426-91-5,
2-(5-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
5-Chloro-2-methylphenylboronic acid, pinacol ester,
SCHEMBL15180967,
AKOS017550146,
ZINC169986443,
DA-11648,
FT-0709222,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.545g/mol |
| Monoisotopic Mass | 252.109g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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