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Home > Imidazoles > 90283-96-8
90283-96-8 | Phosphonium, (1,2-diphenyl-1H-imidazol-4-yl)triphenyl-, perchlorate
CAS No: 90283-96-8 Catalog No: AG006TB7 MDL No:
Product Description
Catalog Number:
AG006TB7
Chemical Name:
Phosphonium, (1,2-diphenyl-1H-imidazol-4-yl)triphenyl-, perchlorate
CAS Number:
90283-96-8
Molecular Formula:
C33H26ClN2O4P
Molecular Weight:
580.9973
IUPAC Name:
(1,2-diphenylimidazol-4-yl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C33H26N2P.ClHO4/c1-6-16-27(17-7-1)33-34-32(26-35(33)28-18-8-2-9-19-28)36(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;2-1(3,4)5/h1-26H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
BNQWJAKCHIARFS-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)n1cc(nc1c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.132g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
581.005g/mol
Monoisotopic Mass:
580.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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