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Home > Boronic Acids > 874290-97-8
874290-97-8 | N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine-4-carboxamide
CAS No: 874290-97-8 Catalog No: AG004MGS MDL No:MFCD08689495
Product Description
Catalog Number:
AG004MGS
Chemical Name:
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine-4-carboxamide
CAS Number:
874290-97-8
Molecular Formula:
C17H25BN2O4
Molecular Weight:
332.2024
MDL Number:
MFCD08689495
IUPAC Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide
InChI:
InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
InChI Key:
NPVFWSDIINWNDP-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.191g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.207g/mol
Monoisotopic Mass:
332.191g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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