3-Quinolinecarboxylic acid, 1,4-dihydro-6-iodo-4-oxo-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-6-iodo-4-oxo-, ethyl ester
CAS Number: 302949-01-5
Product Number: AG002ZIX(AGN-PC-0JVF03)
Synonyms:
MDL No:
Molecular Formula: C12H10INO3
Molecular Weight: 343.1172

Identification/Properties


Computed Properties
Molecular Weight:
343.12g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
342.971g/mol
Monoisotopic Mass:
342.971g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
367
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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