Chemical Properties of Uracil, 1,3-bis(p-nitrobenzyl)- (CAS 116496-70-9)

Uracil, 1,3-bis(p-nitrobenzyl)-

InChI
InChI=1S/C18H14N4O6/c23-17-9-10-19(11-13-1-5-15(6-2-13)21(25)26)18(24)20(17)12-14-3-7-16(8-4-14)22(27)28/h1-10H,11-12H2
InChI Key
YZAFQHMMBCUUPR-UHFFFAOYSA-N
Formula
C18H14N4O6
SMILES
O=c1ccn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
382.33
CAS
116496-70-9
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Physical Properties

Property Value Unit Source
IE 9.09 eV Relay (1.0) Calculated Property
logPoct/wat 1.923 Crippen Calculated Property
McVol 259.740 ml/mol McGowan Calculated Property
Tboil 730.25 K Relay (1.0) Calculated Property
Tfus 413.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Cytidine, etho-oxime-TMS derivative. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. N-Desmethylmirtazapine. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. xanthosine-5'-monophosphate, TMS. Cytidine, metho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Quinine, trimethylsilyl ether. Benazepril Me. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. guanosine, TMS. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. guanosine-2'(3')-monophosphate, TMS.

Find more compounds similar to Uracil, 1,3-bis(p-nitrobenzyl)-.

Sources

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