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Home > Boronic Acids > 1036991-25-9
1036991-25-9 | 4-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
CAS No: 1036991-25-9 Catalog No: AG00907I MDL No:MFCD09266172
Product Description
Catalog Number:
AG00907I
Chemical Name:
4-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
CAS Number:
1036991-25-9
Molecular Formula:
C17H24BNO4
Molecular Weight:
317.1878
MDL Number:
MFCD09266172
IUPAC Name:
morpholin-4-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-6-13(12-14)15(20)19-8-10-21-11-9-19/h5-7,12H,8-11H2,1-4H3
InChI Key:
PKONGXZPUDFPPH-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)N1CCOCC1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.18g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.192g/mol
Monoisotopic Mass:
317.18g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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