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174811-44-0 | Oxazolo[3,2-a]pyridinium, 5-methyl-2-phenyl-, perchlorate (1:1)
CAS No: 174811-44-0 Catalog No: AG001ZYR MDL No:
Product Description
Catalog Number:
AG001ZYR
Chemical Name:
Oxazolo[3,2-a]pyridinium, 5-methyl-2-phenyl-, perchlorate (1:1)
CAS Number:
174811-44-0
Molecular Formula:
C14H12ClNO5
Molecular Weight:
309.7018
IUPAC Name:
5-methyl-2-phenyl-[1,3]oxazolo[3,2-a]pyridin-4-ium;perchlorate
InChI:
InChI=1S/C14H12NO.ClHO4/c1-11-6-5-9-14-15(11)10-13(16-14)12-7-3-2-4-8-12;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
WGSSRBLUCZGNFG-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cccc2[n+]1cc(o2)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.04g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.702g/mol
Monoisotopic Mass:
309.04g/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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