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87981-26-8 | Quinolinium, 6-(diethoxyphosphinyl)-1-ethyl-4-methyl-, iodide
CAS No: 87981-26-8 Catalog No: AG004ID0 MDL No:
Product Description
Catalog Number:
AG004ID0
Chemical Name:
Quinolinium, 6-(diethoxyphosphinyl)-1-ethyl-4-methyl-, iodide
CAS Number:
87981-26-8
Molecular Formula:
C16H23INO3P
Molecular Weight:
435.2370
IUPAC Name:
6-diethoxyphosphoryl-1-ethyl-4-methylquinolin-1-ium;iodide
InChI:
InChI=1S/C16H23NO3P.HI/c1-5-17-11-10-13(4)15-12-14(8-9-16(15)17)21(18,19-6-2)20-7-3;/h8-12H,5-7H2,1-4H3;1H/q+1;/p-1
InChI Key:
GOZYTUHAHSMYDA-UHFFFAOYSA-M
SMILES:
CCOP(=O)(c1ccc2c(c1)c(C)cc[n+]2CC)OCC.[I-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.046g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.242g/mol
Monoisotopic Mass:
435.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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