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114153-64-9 | Thiazolo[3,2-a]pyrimidin-4-ium, 2,7-diphenyl-, perchlorate (1:1)
CAS No: 114153-64-9 Catalog No: AG000AO5 MDL No:
Product Description
Catalog Number:
AG000AO5
Chemical Name:
Thiazolo[3,2-a]pyrimidin-4-ium, 2,7-diphenyl-, perchlorate (1:1)
CAS Number:
114153-64-9
Molecular Formula:
C18H13ClN2O4S
Molecular Weight:
388.8248
IUPAC Name:
2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;perchlorate
InChI:
InChI=1S/C18H13N2S.ClHO4/c1-3-7-14(8-4-1)16-11-12-20-13-17(21-18(20)19-16)15-9-5-2-6-10-15;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
XKHZXIWZNDVEMP-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc[n+]2c(n1)sc(c2)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.028g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.822g/mol
Monoisotopic Mass:
388.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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