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Home > Nitro Compounds > 201735-85-5
201735-85-5 | Oxazolo[3,2-a]pyridinium, 5-methyl-2-(4-nitrophenyl)-, perchlorate (1:1)
CAS No: 201735-85-5 Catalog No: AG0027ST MDL No:
Product Description
Catalog Number:
AG0027ST
Chemical Name:
Oxazolo[3,2-a]pyridinium, 5-methyl-2-(4-nitrophenyl)-, perchlorate (1:1)
CAS Number:
201735-85-5
Molecular Formula:
C14H11ClN2O7
Molecular Weight:
354.6993
IUPAC Name:
5-methyl-2-(4-nitrophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium;perchlorate
InChI:
InChI=1S/C14H11N2O3.ClHO4/c1-10-3-2-4-14-15(10)9-13(19-14)11-5-7-12(8-6-11)16(17)18;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZDOXWCXOZJFOQV-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccc(cc1)c1c[n+]2c(o1)cccc2C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.025g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.699g/mol
Monoisotopic Mass:
354.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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