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51943-58-9

51943-58-9 | 3-ethyl-2-[3-(3-ethyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl]benzoxazolium iodide

CAS No: 51943-58-9 Catalog No: AG00DTO7 MDL No:

Product Description

Catalog Number:
AG00DTO7
Chemical Name:
3-ethyl-2-[3-(3-ethyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl]benzoxazolium iodide
CAS Number:
51943-58-9
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-4-methyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C18H21N2OS.HI/c1-4-19-14(3)13-22-18(19)12-8-11-17-20(5-2)15-9-6-7-10-16(15)21-17;/h6-13H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
FBXXAHZNQDZBIF-UHFFFAOYSA-M
EC Number:
257-533-9

Properties

Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.042g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.343g/mol
Monoisotopic Mass:
440.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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