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109450-79-5 | 1-ETHYL-4-(3-NITROSTYRYL)PYRIDINIUM IODIDE
CAS No: 109450-79-5 Catalog No: AG0082FM MDL No:
Product Description
Catalog Number:
AG0082FM
Chemical Name:
1-ETHYL-4-(3-NITROSTYRYL)PYRIDINIUM IODIDE
CAS Number:
109450-79-5
Molecular Formula:
C15H15IN2O2
Molecular Weight:
382.1963
IUPAC Name:
1-ethyl-4-[2-(3-nitrophenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C15H15N2O2.HI/c1-2-16-10-8-13(9-11-16)6-7-14-4-3-5-15(12-14)17(18)19;/h3-12H,2H2,1H3;1H/q+1;/p-1
InChI Key:
JKMWSUGMPMZJER-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(cc1)C=Cc1cccc(c1)[N+](=O)[O-].[I-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.201g/mol
Monoisotopic Mass:
382.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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