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Home > Boronic Acids > 1059171-55-9
1059171-55-9 | 2-morpholino-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
CAS No: 1059171-55-9 Catalog No: AG01DUCM MDL No:
Product Description
Catalog Number:
AG01DUCM
Chemical Name:
2-morpholino-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
CAS Number:
1059171-55-9
Molecular Formula:
C18H27BN2O4
Molecular Weight:
346.2290
IUPAC Name:
2-morpholin-4-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C18H27BN2O4/c1-17(2)18(3,4)25-19(24-17)14-6-5-7-15(12-14)20-16(22)13-21-8-10-23-11-9-21/h5-7,12H,8-11,13H2,1-4H3,(H,20,22)
InChI Key:
DKFMHWKHVHLCII-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)CN1CCOCC1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.206g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.234g/mol
Monoisotopic Mass:
346.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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