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13794-84-8 | Oxazolo[3,2-a]pyridinium, 2-phenyl-, perchlorate (1:1)
CAS No: 13794-84-8 Catalog No: AG0017P8 MDL No:
Product Description
Catalog Number:
AG0017P8
Chemical Name:
Oxazolo[3,2-a]pyridinium, 2-phenyl-, perchlorate (1:1)
CAS Number:
13794-84-8
Molecular Formula:
C13H10ClNO5
Molecular Weight:
295.6752
IUPAC Name:
2-phenyl-[1,3]oxazolo[3,2-a]pyridin-4-ium;perchlorate
InChI:
InChI=1S/C13H10NO.ClHO4/c1-2-6-11(7-3-1)12-10-14-9-5-4-8-13(14)15-12;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
NTAKQQNRKANWAE-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1oc2[n+](c1)cccc2.[O-][Cl](=O)(=O)=O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.675g/mol
Monoisotopic Mass:
295.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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