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81020-83-9

81020-83-9 | Pyridinium, 1-(1-anthracenyl)-2,4,6-trimethyl-, perchlorate

CAS No: 81020-83-9 Catalog No: AG0056M1 MDL No:

Product Description

Catalog Number:
AG0056M1
Chemical Name:
Pyridinium, 1-(1-anthracenyl)-2,4,6-trimethyl-, perchlorate
CAS Number:
81020-83-9
Molecular Formula:
C22H20ClNO4
Molecular Weight:
397.8515
IUPAC Name:
1-anthracen-1-yl-2,4,6-trimethylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C22H20N.ClHO4/c1-15-11-16(2)23(17(3)12-15)22-10-6-9-20-13-18-7-4-5-8-19(18)14-21(20)22;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
RWJVKBOPUNLVMB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+](c(c1)C)c1cccc2c1cc1ccccc1c2

Properties

Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.108g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.855g/mol
Monoisotopic Mass:
397.108g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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