| CAS Number | 2121514-93-8 |
| Catalog Number | AG01EHJX |
| Chemical Name | 4-Isopropoxy-3-methylphenylboronic acid pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3,2-dioxaborolane |
| InChI | InChI=1S/C16H25BO3/c1-11(2)18-14-9-8-13(10-12(14)3)17-19-15(4,5)16(6,7)20-17/h8-11H,1-7H3 |
| InChI Key | JOWLXECJBBZDOD-UHFFFAOYSA-N |
| MDL Number | MFCD25953916 |
| Molecular Formula | C16H25BO3 |
| Molecular Weight | 276.1789 |
| SMILES | c1(c(ccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)C)C |
| Synonyms | 4-Isopropoxy-3-methylphenylboronic acid pinacol ester,
2121514-93-8,
2-(4-Isopropoxy-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
SCHEMBL14552656,
MFCD25953916,
AKOS018218112,
ZINC169985711,
N/A,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.183g/mol |
| Monoisotopic Mass | 276.19g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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