1(2H)-Isoquinolinone, 3,4-dihydro-7-nitro-


Chemical Name: 1(2H)-Isoquinolinone, 3,4-dihydro-7-nitro-
CAS Number: 22245-96-1
Product Number: AG006Z64(AGN-PC-00L683)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O3
Molecular Weight: 192.1714

Identification/Properties


Computed Properties
Molecular Weight:
192.174g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
192.053g/mol
Monoisotopic Mass:
192.053g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
261
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


Other Analytical Data


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