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88257-53-8

88257-53-8 | Phosphonium, tris(4-methoxyphenyl)(4-methylphenyl)-, iodide

CAS No: 88257-53-8 Catalog No: AG004CC4 MDL No:

Product Description

Catalog Number:
AG004CC4
Chemical Name:
Phosphonium, tris(4-methoxyphenyl)(4-methylphenyl)-, iodide
CAS Number:
88257-53-8
Molecular Formula:
C28H28IO3P
Molecular Weight:
570.3984
IUPAC Name:
tris(4-methoxyphenyl)-(4-methylphenyl)phosphanium;iodide
InChI:
InChI=1S/C28H28O3P.HI/c1-21-5-13-25(14-6-21)32(26-15-7-22(29-2)8-16-26,27-17-9-23(30-3)10-18-27)28-19-11-24(31-4)12-20-28;/h5-20H,1-4H3;1H/q+1;/p-1
InChI Key:
XFOQDRYWMYUVDG-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)[P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)C.[I-]

Properties

Complexity:
477  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.082g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.407g/mol
Monoisotopic Mass:
570.082g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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