1(2H)-Isoquinolinone, 7-nitro-


Chemical Name: 1(2H)-Isoquinolinone, 7-nitro-
CAS Number: 20141-83-7
Product Number: AG002DDX(AGN-PC-0NEJK3)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O3
Molecular Weight: 190.1555

Identification/Properties


Computed Properties
Molecular Weight:
190.158g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
190.038g/mol
Monoisotopic Mass:
190.038g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
295
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

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NMR Spectrum


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