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89764-26-1

89764-26-1 | Oxazolo[3,2-b]pyridazin-4-ium, 3-methyl-2,6-diphenyl-, perchlorate

CAS No: 89764-26-1 Catalog No: AG00878H MDL No:

Product Description

Catalog Number:
AG00878H
Chemical Name:
Oxazolo[3,2-b]pyridazin-4-ium, 3-methyl-2,6-diphenyl-, perchlorate
CAS Number:
89764-26-1
Molecular Formula:
C19H15ClN2O5
Molecular Weight:
386.7858
IUPAC Name:
3-methyl-2,6-diphenyl-[1,3]oxazolo[3,2-b]pyridazin-4-ium;perchlorate
InChI:
InChI=1S/C19H15N2O.ClHO4/c1-14-19(16-10-6-3-7-11-16)22-18-13-12-17(20-21(14)18)15-8-4-2-5-9-15;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PQQXQMJJHNEOMF-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1c(oc2[n+]1nc(cc2)c1ccccc1)c1ccccc1

Properties

Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.067g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.788g/mol
Monoisotopic Mass:
386.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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