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Home > Boronic Acids > 1486485-52-2
1486485-52-2 | 2-methyl-1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine
CAS No: 1486485-52-2 Catalog No: AG019YZO MDL No:MFCD18781106
Product Description
Catalog Number:
AG019YZO
Chemical Name:
2-methyl-1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine
CAS Number:
1486485-52-2
Molecular Formula:
C18H28BNO2
Molecular Weight:
301.2314
MDL Number:
MFCD18781106
IUPAC Name:
2-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
InChI:
InChI=1S/C18H28BNO2/c1-14-7-6-12-20(14)13-15-8-10-16(11-9-15)19-21-17(2,3)18(4,5)22-19/h8-11,14H,6-7,12-13H2,1-5H3
InChI Key:
TZAKEDJGYFUVMY-UHFFFAOYSA-N
SMILES:
CC1CCCN1Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.221g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.237g/mol
Monoisotopic Mass:
301.221g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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