1-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine
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Product Code | F696695 |
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Product Name | 1-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine |
CAS | 2096337-95-8 |
Purity | 97% |
Molecular weight | 321.65 |
IUPAC Name | 1-{[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine |
SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCCC2)C(Cl)=C1 |
INCHI Code | InChI=1S/C17H25BClNO2/c1-16(2)17(3,4)22-18(21-16)14-8-7-13(15(19)11-14)12-20-9-5-6-10-20/h7-8,11H,5-6,9-10,12H2,1-4H3 |
Asymmetric atoms | 0 |
LogP | 4.6309 |
H bond acceptors | 3 |
H bond donors | 0 |
fsp3 | 0.64705884 |
Concept Codes | Phenyl, Heterocycle, Tertiary amine, Amine (P+S+T), Chloro, Halo, Methyl, Boronic ester, Pinacol boronate, 5-Membered heterocycle, Disubstituted (2,5)- monochlorobenzene, Monochlorobenzene, Pyrrolidine, Cyclic, Aromatic, Phenylboronic acid ester, Phenylboronic acid pinacol ester, 1,3,2-Dioxaborolane |