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88047-38-5 | Pyridinium, 2-(2-benzothiazolyl)-1-ethyl-4,6-diphenyl-, perchlorate
CAS No: 88047-38-5 Catalog No: AG004G1U MDL No:
Product Description
Catalog Number:
AG004G1U
Chemical Name:
Pyridinium, 2-(2-benzothiazolyl)-1-ethyl-4,6-diphenyl-, perchlorate
CAS Number:
88047-38-5
Molecular Formula:
C26H21ClN2O4S
Molecular Weight:
492.9739
IUPAC Name:
2-(1-ethyl-4,6-diphenylpyridin-1-ium-2-yl)-1,3-benzothiazole;perchlorate
InChI:
InChI=1S/C26H21N2S.ClHO4/c1-2-28-23(20-13-7-4-8-14-20)17-21(19-11-5-3-6-12-19)18-24(28)26-27-22-15-9-10-16-25(22)29-26;2-1(3,4)5/h3-18H,2H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
AMMXPJVECOSNRX-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1nc2c(s1)cccc2
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.091g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.974g/mol
Monoisotopic Mass:
492.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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