| CAS Number | 2096334-38-0 |
| Catalog Number | AG01EHD7 |
| Chemical Name | 4-(2-Hydroxy-3-pyrrolidinopropoxy)phenylboronic acid, pinacol ester |
| IUPAC Name | 1-pyrrolidin-1-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-ol |
| InChI | InChI=1S/C19H30BNO4/c1-18(2)19(3,4)25-20(24-18)15-7-9-17(10-8-15)23-14-16(22)13-21-11-5-6-12-21/h7-10,16,22H,5-6,11-14H2,1-4H3 |
| InChI Key | IZKOHVNXPYGTPP-UHFFFAOYSA-N |
| MDL Number | MFCD18087746 |
| Molecular Formula | C19H30BNO4 |
| Molecular Weight | 347.2568 |
| SMILES | OC(CN1CCCC1)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096334-38-0,
4-(2-Hydroxy-3-pyrrolidinopropoxy)phenylboronic acid, pinacol ester,
1-(Pyrrolidin-1-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol,
MFCD18087746,
B-9781,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.262g/mol |
| Monoisotopic Mass | 347.227g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number