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63123-27-3 | 1-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]quinolinium iodide
CAS No: 63123-27-3 Catalog No: AG00EU6D MDL No:
Product Description
Catalog Number:
AG00EU6D
Chemical Name:
1-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]quinolinium iodide
CAS Number:
63123-27-3
IUPAC Name:
3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C21H21N2O.HI/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
IOMLIHYTQVTFGV-UHFFFAOYSA-M
EC Number:
263-874-4
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.07g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.316g/mol
Monoisotopic Mass:
444.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
16.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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