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37512-71-3 | Thiazolo[2,3-a]isoquinolinium, 2,3-dihydro-, perchlorate
CAS No: 37512-71-3 Catalog No: AG0079KJ MDL No:
Product Description
Catalog Number:
AG0079KJ
Chemical Name:
Thiazolo[2,3-a]isoquinolinium, 2,3-dihydro-, perchlorate
CAS Number:
37512-71-3
Molecular Formula:
C11H10ClNO4S
Molecular Weight:
287.7194
IUPAC Name:
2,3-dihydro-[1,3]thiazolo[2,3-a]isoquinolin-4-ium;perchlorate
InChI:
InChI=1S/C11H10NS.ClHO4/c1-2-4-10-9(3-1)5-6-12-7-8-13-11(10)12;2-1(3,4)5/h1-6H,7-8H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
VWIIDUIVZDUOMS-UHFFFAOYSA-M
SMILES:
c1ccc2c(c1)c1SCC[n+]1cc2.[O-][Cl](=O)(=O)=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.714g/mol
Monoisotopic Mass:
287.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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