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611187-01-0 | 7-NITROISOQUINOLINE-1,3(2H,4H)-DIONE
CAS No: 611187-01-0 Catalog No: AG00F92O MDL No:
Product Description
Catalog Number:
AG00F92O
Chemical Name:
7-NITROISOQUINOLINE-1,3(2H,4H)-DIONE
CAS Number:
611187-01-0
IUPAC Name:
7-nitro-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C9H6N2O4/c12-8-3-5-1-2-6(11(14)15)4-7(5)9(13)10-8/h1-2,4H,3H2,(H,10,12,13)
InChI Key:
ZMMZPBUDHFGBCQ-UHFFFAOYSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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