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86521-43-9 | Phosphonium, triphenyl(2-phenyl-4-thiazolyl)-, perchlorate
CAS No: 86521-43-9 Catalog No: AG004V7H MDL No:
Product Description
Catalog Number:
AG004V7H
Chemical Name:
Phosphonium, triphenyl(2-phenyl-4-thiazolyl)-, perchlorate
CAS Number:
86521-43-9
Molecular Formula:
C27H21ClNO4PS
Molecular Weight:
521.9517
IUPAC Name:
triphenyl-(2-phenyl-1,3-thiazol-4-yl)phosphanium;perchlorate
InChI:
InChI=1S/C27H21NPS.ClHO4/c1-5-13-22(14-6-1)27-28-26(21-30-27)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
BYSWKWQUZGYDTL-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1scc(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.062g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
521.952g/mol
Monoisotopic Mass:
521.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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