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190777-75-4 | 5-IODOISOQUINOLIN-1(2H)-ONE
CAS No: 190777-75-4 Catalog No: AG01DLZ4 MDL No:
Product Description
Catalog Number:
AG01DLZ4
Chemical Name:
5-IODOISOQUINOLIN-1(2H)-ONE
CAS Number:
190777-75-4
IUPAC Name:
5-iodo-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6INO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
InChI Key:
GLPPCYPDKYPIAL-UHFFFAOYSA-N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 5-Benzamidoisoquinolin-1-ones and 5-(ω-carboxyalkyl)isoquinolin-1-ones as isoform-selective inhibitors of poly(ADP-ribose) polymerase 2 (PARP-2). | Journal of medicinal chemistry 20110414 |
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