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13127-33-8 | Thiazolo[3,2-a]pyridinium, 2-methyl-, perchlorate (1:1)
CAS No: 13127-33-8 Catalog No: AG000VUL MDL No:
Product Description
Catalog Number:
AG000VUL
Chemical Name:
Thiazolo[3,2-a]pyridinium, 2-methyl-, perchlorate (1:1)
CAS Number:
13127-33-8
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
IUPAC Name:
2-methyl-[1,3]thiazolo[3,2-a]pyridin-4-ium;perchlorate
InChI:
InChI=1S/C8H8NS.ClHO4/c1-7-6-9-5-3-2-4-8(9)10-7;2-1(3,4)5/h2-6H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
VCEQJKBOWAOXHS-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1sc2[n+](c1)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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