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Home > Boronic Acids > 874290-95-6
874290-95-6 | N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide
CAS No: 874290-95-6 Catalog No: AG004FYQ MDL No:MFCD08689514
Product Description
Catalog Number:
AG004FYQ
Chemical Name:
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide
CAS Number:
874290-95-6
Molecular Formula:
C17H25BN2O3
Molecular Weight:
316.2030
MDL Number:
MFCD08689514
IUPAC Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
InChI:
InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)13-7-9-14(10-8-13)19-15(21)20-11-5-6-12-20/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
InChI Key:
YYWNYUFLSXVMRD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.196g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.208g/mol
Monoisotopic Mass:
316.196g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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