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Home > Boronic Acids > 897016-97-6
897016-97-6 | 4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzyl);morpholine
CAS No: 897016-97-6 Catalog No: AG0042PK MDL No:MFCD18434461
Product Description
Catalog Number:
AG0042PK
Chemical Name:
4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzyl);morpholine
CAS Number:
897016-97-6
Molecular Formula:
C17H25BFNO3
Molecular Weight:
321.1947
MDL Number:
MFCD18434461
IUPAC Name:
4-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI:
InChI=1S/C17H25BFNO3/c1-16(2)17(3,4)23-18(22-16)14-6-5-13(11-15(14)19)12-20-7-9-21-10-8-20/h5-6,11H,7-10,12H2,1-4H3
InChI Key:
DWJRSQOUYHDWKV-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)CN1CCOCC1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.199g/mol
Monoisotopic Mass:
321.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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