Home Nitros Pyridinium, 1-methyl-4-[(1E)-2-(4-nitrophenyl)ethenyl]-, iodide

Pyridinium, 1-methyl-4-[(1E)-2-(4-nitrophenyl)ethenyl]-, iodide

CAS No.:
25565-20-2
Catalog Number:
AG0038UO
Molecular Formula:
C14H13IN2O2
Molecular Weight:
368.1697
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Product Description
Catalog Number:
AG0038UO
Chemical Name:
Pyridinium, 1-methyl-4-[(1E)-2-(4-nitrophenyl)ethenyl]-, iodide
CAS Number:
25565-20-2
Molecular Formula:
C14H13IN2O2
Molecular Weight:
368.1697
IUPAC Name:
1-methyl-4-[2-(4-nitrophenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C14H13N2O2.HI/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(7-5-12)16(17)18;/h2-11H,1H3;1H/q+1;/p-1
InChI Key:
JEVGUFHLMZPMDA-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-].[I-]
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.002g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.174g/mol
Monoisotopic Mass:
368.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties