| CAS Number | 1268242-41-6 |
| Catalog Number | AG00HRL0(AGN-PC-0WR004) |
| Chemical Name | 4-sec-Butylphenylboronic acid pinacol ester |
| IUPAC Name | 2-(4-butan-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C16H25BO2/c1-7-12(2)13-8-10-14(11-9-13)17-18-15(3,4)16(5,6)19-17/h8-12H,7H2,1-6H3 |
| InChI Key | KFJSDLRVUFZWGX-UHFFFAOYSA-N |
| MDL Number | MFCD22493526 |
| Molecular Formula | C16H25BO2 |
| Molecular Weight | 260.1795 |
| SMILES | CCC(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C |
| Synonyms | 1268242-41-6,
4-sec-Butylphenylboronic acid pinacol ester,
2-(4-(sec-Butyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
SCHEMBL15096665,
AKOS018218528,
1-sec-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzene,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.184g/mol |
| Monoisotopic Mass | 260.195g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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