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Home > Boronic Acids > 1073353-61-3
1073353-61-3 | Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
CAS No: 1073353-61-3 Catalog No: AG007WHS MDL No:MFCD09027086
Product Description
Catalog Number:
AG007WHS
Chemical Name:
Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
CAS Number:
1073353-61-3
Molecular Formula:
C17H24BNO3
Molecular Weight:
301.1884
MDL Number:
MFCD09027086
IUPAC Name:
pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C17H24BNO3/c1-16(2)17(3,4)22-18(21-16)14-9-7-8-13(12-14)15(20)19-10-5-6-11-19/h7-9,12H,5-6,10-11H2,1-4H3
InChI Key:
CLPFNNNIZHMNPT-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)N1CCCC1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.193g/mol
Monoisotopic Mass:
301.185g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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