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84255-09-4 | Quinolinium,1-ethyl-4-[(3-ethyl-2(3H)-benzoselenazolylidene)methyl]-, iodide (9CI)
CAS No: 84255-09-4 Catalog No: AG004U6S MDL No:
Product Description
Catalog Number:
AG004U6S
Chemical Name:
Quinolinium,1-ethyl-4-[(3-ethyl-2(3H)-benzoselenazolylidene)methyl]-, iodide (9CI)
CAS Number:
84255-09-4
Molecular Formula:
C21H21IN2Se
Molecular Weight:
507.2693
IUPAC Name:
3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzoselenazole;iodide
InChI:
InChI=1S/C21H21N2Se.HI/c1-3-22-14-13-16(17-9-5-6-10-18(17)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:
HPPHBVFVJDGRHH-UHFFFAOYSA-M
SMILES:
CCn1c(=Cc2cc[n+](c3c2cccc3)CC)[se]c2c1cccc2.[I-]
EC Number:
282-556-6
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.991g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
507.288g/mol
Monoisotopic Mass:
507.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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