| CAS Number | 2096341-81-8 |
| Catalog Number | AG01EHL2 |
| Chemical Name | 3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine |
| InChI | InChI=1S/C16H25BClNO2/c1-6-10-19-11-12-13(8-7-9-14(12)18)17-20-15(2,3)16(4,5)21-17/h7-9,19H,6,10-11H2,1-5H3 |
| InChI Key | YLCXIXCEJAWAKY-UHFFFAOYSA-N |
| MDL Number | MFCD20441918 |
| Molecular Formula | C16H25BClNO2 |
| Molecular Weight | 309.6392 |
| SMILES | CCCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096341-81-8,
3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester,
N-(2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)propan-1-amine,
MFCD20441918,
AKOS027359840,
ZINC169956021,
B-9722,
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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