6-Iodopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one


Chemical Name: 6-Iodopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CAS Number: 1201784-97-5
Product Number: AG000QHR(AGN-PC-0WAC0H)
Synonyms:
MDL No:
Molecular Formula: C6H4IN3O
Molecular Weight: 261.0199

Identification/Properties


Computed Properties
Molecular Weight:
261.022g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
260.94g/mol
Monoisotopic Mass:
260.94g/mol
Topological Polar Surface Area:
46.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
218
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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