| CAS Number | 2096331-24-5 |
| Catalog Number | AG01EHGE |
| Chemical Name | 4-Chloro-2-(N-propylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine |
| InChI | InChI=1S/C16H25BClNO2/c1-6-9-19-11-12-10-13(18)7-8-14(12)17-20-15(2,3)16(4,5)21-17/h7-8,10,19H,6,9,11H2,1-5H3 |
| InChI Key | ZOESGHFBNMLJIH-UHFFFAOYSA-N |
| MDL Number | MFCD20441916 |
| Molecular Formula | C16H25BClNO2 |
| Molecular Weight | 309.6392 |
| SMILES | CCCNCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C |
| Synonyms | B 9720,
B-9720,
2096331-24-5,
4-Chloro-2-(N-propylaminomethyl)phenylboronic acid, pinacol ester,
N-(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)propan-1-amine,
MFCD20441916,
AKOS027349510,
ZINC169956007,
B-9720,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.641g/mol |
| Monoisotopic Mass | 309.167g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number