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90298-56-9

90298-56-9 | Isothiazolium, 5-(4-morpholinyl)-2-(3-nitrophenyl)-4-phenyl-, perchlorate

CAS No: 90298-56-9 Catalog No: AG006G0J MDL No:

Product Description

Catalog Number:
AG006G0J
Chemical Name:
Isothiazolium, 5-(4-morpholinyl)-2-(3-nitrophenyl)-4-phenyl-, perchlorate
CAS Number:
90298-56-9
Molecular Formula:
C19H18ClN3O7S
Molecular Weight:
467.8801
IUPAC Name:
4-[2-(3-nitrophenyl)-4-phenyl-1,2-thiazol-2-ium-5-yl]morpholine;perchlorate
InChI:
InChI=1S/C19H18N3O3S.ClHO4/c23-22(24)17-8-4-7-16(13-17)21-14-18(15-5-2-1-3-6-15)19(26-21)20-9-11-25-12-10-20;2-1(3,4)5/h1-8,13-14H,9-12H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
HCLZUEJIFQPFFZ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1cccc(c1)[n+]1sc(c(c1)c1ccccc1)N1CCOCC1

Properties

Complexity:
573  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.055g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.877g/mol
Monoisotopic Mass:
467.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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