| CAS Number | 2096341-83-0 |
| Catalog Number | AG01EHCX |
| Chemical Name | 4-Isobutyrylphenylboronic acid pinacol ester |
| IUPAC Name | 2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-one |
| InChI | InChI=1S/C16H23BO3/c1-11(2)14(18)12-7-9-13(10-8-12)17-19-15(3,4)16(5,6)20-17/h7-11H,1-6H3 |
| InChI Key | NHIQIMZJZLXMDB-UHFFFAOYSA-N |
| MDL Number | MFCD21333043 |
| Molecular Formula | C16H23BO3 |
| Molecular Weight | 274.1630 |
| SMILES | O=C(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C(C)C |
| Synonyms | 4-Isobutyrylphenylboronic acid pinacol ester,
2096341-83-0,
2-Methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-1-one,
MFCD21333043,
AKOS027373030,
ZINC169965092,
B-9367,
N/A,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.167g/mol |
| Monoisotopic Mass | 274.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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