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116405-43-7 | Phosphorus(1+), triphenyl(P,P,P-triphenylphosphine imidato-κN)-, (T-4)-, 2,2,2-trifluoroacetate (1:1)
CAS No: 116405-43-7 Catalog No: AG000CE7 MDL No:MFCD15146355
Product Description
Catalog Number:
AG000CE7
Chemical Name:
Phosphorus(1+), triphenyl(P,P,P-triphenylphosphine imidato-κN)-, (T-4)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
116405-43-7
Molecular Formula:
C38H30F3NO2P2
Molecular Weight:
651.5930
MDL Number:
MFCD15146355
IUPAC Name:
2,2,2-trifluoroacetate;triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium
InChI:
InChI=1S/C36H30NP2.C2HF3O2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;3-2(4,5)1(6)7/h1-30H;(H,6,7)/q+1;/p-1
InChI Key:
NDLHFNFVQBXEPE-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)P(=[N+]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]C(=O)C(F)(F)F
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
651.17g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
651.606g/mol
Monoisotopic Mass:
651.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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