Free Chemical Databases
-
[Synonyms]
p-Nitrobenzil
4-Nitrobenzil
Benzil, 4-nitro-
Benzil-based compound, 27
Ethanedione, (4-nitrophenyl)phenyl-
NSC139153
STK325617
ZINC02555760
22711-24-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 255.22556 [g/mol] Molecular Formula C14H9NO4 XLogP 3.1 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 3 Exact Mass 255.053158 MonoIsotopic Mass 255.053158 Topological Polar Surface Area 77.3 Heavy Atom Count 19 Formal Charge 0 Complexity 360 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
[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-nitrophenyl)-2-phenylethane-1,2-dione
Canonical SMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/
h1-9H
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