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Home > Boronic Acids > 1313738-69-0
1313738-69-0 | Morpholine, 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1313738-69-0 Catalog No: AG000W12 MDL No:MFCD18375252
Product Description
Catalog Number:
AG000W12
Chemical Name:
Morpholine, 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1313738-69-0
Molecular Formula:
C16H22BF2NO3
Molecular Weight:
325.1586
MDL Number:
MFCD18375252
IUPAC Name:
4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
InChI:
InChI=1S/C16H22BF2NO3/c1-15(2)16(3,4)23-17(22-15)11-9-12(18)14(13(19)10-11)20-5-7-21-8-6-20/h9-10H,5-8H2,1-4H3
InChI Key:
DXHKMVVLQQJTIM-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1N1CCOCC1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.166g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.163g/mol
Monoisotopic Mass:
325.166g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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