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37512-70-2 | Thiazolo[2,3-a]isoquinolinium, 2,3-dihydro-3-methyl-, perchlorate
CAS No: 37512-70-2 Catalog No: AG0079KK MDL No:
Product Description
Catalog Number:
AG0079KK
Chemical Name:
Thiazolo[2,3-a]isoquinolinium, 2,3-dihydro-3-methyl-, perchlorate
CAS Number:
37512-70-2
Molecular Formula:
C12H12ClNO4S
Molecular Weight:
301.7460
IUPAC Name:
3-methyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoquinolin-4-ium;perchlorate
InChI:
InChI=1S/C12H12NS.ClHO4/c1-9-8-14-12-11-5-3-2-4-10(11)6-7-13(9)12;2-1(3,4)5/h2-7,9H,8H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DMQFFCXVICRXMT-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC1CSc2[n+]1ccc1c2cccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.741g/mol
Monoisotopic Mass:
301.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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