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Quinolinium,1-methyl-2-[2-(4-nitrophenyl)ethenyl]-, iodide (1:1) 5418-79-1 98%
【Name】
Quinolinium,1-methyl-2-[2-(4-nitrophenyl)ethenyl]-, iodide (1:1)
【Iupac name】
1-methyl-2-[2-(4-nitrophenyl)ethenyl]quinolin-1-ium iodide
【CAS Registry number】
5418-79-1
【Synonyms】
Quinolinium,1-methyl-2-(p-nitrostyryl)-, iodide (8CI)
NSC 10522
【Molecular Formula】
C18H15 N2 O2 . I (Products with the same molecular formula)
【Molecular Weight】
292.3318
【Inchi】
InChI=1/C18H16N2O2/c1-19-16(13-9-15-4-2-3-5-18(15)19)10-6-14-7-11-17(12-8-14)20(21)22/h2-13,16H,1H3/b10-6+
【Canonical SMILES】
C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)[N+](=O)[O-].[I-]
Chemical and Physical Properties
【Density】
1.267g/cm3
【Boiling Point】
442.1°Cat760mmHg
【Refractive Index】
1.71
【Flash Point】
221.2°C
【Computed Properties】
Molecular Weight:418.22837 [g/mol]
Molecular Formula:C18H15IN2O2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:418.017821
MonoIsotopic Mass:418.017821
Topological Polar Surface Area:49.7
Heavy Atom Count:23
Formal Charge:0
Complexity:410
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
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