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Home > Boronic Acids > 1218791-39-9
1218791-39-9 | Ethanone, 2,2,2-trifluoro-1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]-
CAS No: 1218791-39-9 Catalog No: AG0016BJ MDL No:MFCD12756469
Product Description
Catalog Number:
AG0016BJ
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]-
CAS Number:
1218791-39-9
Molecular Formula:
C18H24BF3N2O3
Molecular Weight:
384.2010
MDL Number:
MFCD12756469
IUPAC Name:
2,2,2-trifluoro-1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C18H24BF3N2O3/c1-16(2)17(3,4)27-19(26-16)13-5-7-14(8-6-13)23-9-11-24(12-10-23)15(25)18(20,21)22/h5-8H,9-12H2,1-4H3
InChI Key:
FNYIDDDDGMQPQW-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.183g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.206g/mol
Monoisotopic Mass:
384.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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