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66266-36-2

66266-36-2 structural image
Product Name: 5-NITRO-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
Formula: C12H6N2O4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 6.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 242.19 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 242.03275668 g/mol
Monoisotopic Mass 242.03275668 g/mol
Topological Polar Surface Area 92 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 417
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