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114632-16-5

114632-16-5 | Pyridinium, 2-(5-bromo-2-furanyl)-1-methyl-4,6-diphenyl-, perchlorate (1:1)

CAS No: 114632-16-5 Catalog No: AG000EW1 MDL No:

Product Description

Catalog Number:
AG000EW1
Chemical Name:
Pyridinium, 2-(5-bromo-2-furanyl)-1-methyl-4,6-diphenyl-, perchlorate (1:1)
CAS Number:
114632-16-5
Molecular Formula:
C22H17BrClNO5
Molecular Weight:
490.7311
IUPAC Name:
2-(5-bromofuran-2-yl)-1-methyl-4,6-diphenylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C22H17BrNO.ClHO4/c1-24-19(17-10-6-3-7-11-17)14-18(16-8-4-2-5-9-16)15-20(24)21-12-13-22(23)25-21;2-1(3,4)5/h2-15H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QCBSSFDARHBBQB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Brc1ccc(o1)c1cc(cc([n+]1C)c1ccccc1)c1ccccc1

Properties

Complexity:
514  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.998g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.734g/mol
Monoisotopic Mass:
488.998g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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