2-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol;tetrafluoroborate


Chemical Name: 2-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol;tetrafluoroborate
CAS Number: 189148-50-3
Product Number: AG00AE4I(AGN-PC-0ADVOU)
Synonyms:
MDL No:
Molecular Formula: C22H21BF4N2OS
Molecular Weight: 448.2845528

Identification/Properties


Computed Properties
Molecular Weight:
448.287g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
448.14g/mol
Monoisotopic Mass:
448.14g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
542
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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