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Home > Boronic Acids > 849067-58-9
849067-58-9 | Phosphine oxide, triethyl-, compd. with tris(pentafluorophenyl)boroxin(1:1)
CAS No: 849067-58-9 Catalog No: AG004PUH MDL No:
Product Description
Catalog Number:
AG004PUH
Chemical Name:
Phosphine oxide, triethyl-, compd. with tris(pentafluorophenyl)boroxin(1:1)
CAS Number:
849067-58-9
Molecular Formula:
C24H15B3F15O4P
Molecular Weight:
715.7563
IUPAC Name:
1-diethylphosphorylethane;2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C18B3F15O3.C6H15OP/c22-4-1(5(23)11(29)16(34)10(4)28)19-37-20(2-6(24)12(30)17(35)13(31)7(2)25)39-21(38-19)3-8(26)14(32)18(36)15(33)9(3)27;1-4-8(7,5-2)6-3/h;4-6H2,1-3H3
InChI Key:
YTGWHLFRXSXHEB-UHFFFAOYSA-N
SMILES:
Fc1c(B2OB(OB(O2)c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F.CCP(=O)(CC)CC
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.075g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
715.76g/mol
Monoisotopic Mass:
716.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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