| CAS Number | 2096337-99-2 |
| Catalog Number | AG01EHM9 |
| Chemical Name | 3-(4-Carboethoxybutyl)phenylboronic acid, pinacol ester |
| IUPAC Name | ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentanoate |
| InChI | InChI=1S/C19H29BO4/c1-6-22-17(21)13-8-7-10-15-11-9-12-16(14-15)20-23-18(2,3)19(4,5)24-20/h9,11-12,14H,6-8,10,13H2,1-5H3 |
| InChI Key | IXVIBZJBLFIXPL-UHFFFAOYSA-N |
| MDL Number | MFCD18087728 |
| Molecular Formula | C19H29BO4 |
| Molecular Weight | 332.2422 |
| SMILES | CCOC(=O)CCCCc1cccc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-(4-Carboethoxybutyl)phenylboronic acid, pinacol ester,
2096337-99-2,
MFCD18087728,
AKOS030530091,
ZINC169935940,
B-9801,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.247g/mol |
| Monoisotopic Mass | 332.216g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number