Chemical Properties of 1,2,3-Benzotriazine-4(3h)-one, 6-nitro- (CAS 91532-29-5)

1,2,3-Benzotriazine-4(3h)-one, 6-nitro-

InChI
InChI=1S/C7H4N4O3/c12-7-5-3-4(11(13)14)1-2-6(5)8-10-9-7/h1-3H,(H,8,9,12)
InChI Key
HFYBDBPOKYEMJB-UHFFFAOYSA-N
Formula
C7H4N4O3
SMILES
O=c1[nH]nnc2ccc([N+](=O)[O-])cc12
Molecular Weight1
192.13
CAS
91532-29-5
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Physical Properties

Property Value Unit Source
Δfgas 148.42 kJ/mol Relay (1.0) Calculated Property
logPoct/wat -0.256 Crippen Calculated Property
McVol 119.500 ml/mol McGowan Calculated Property
Tfus 540.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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

1,2,3-Benzotriazine-4(3h)-one, 6-chloro-. 11-Dehydroestrone (enol), TMS. 2-Methyl-5-nitro-2H-indazole. 4-Nitro-3-carbethoxy-1,2,7-trimethylindole. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-tetramethylene. 1-Phenylcarbamoyl-7-styryl-2,3-phthaloylpyrrocoline. cannabidiolic acid, n-butyl-boronate. Kebuzone, methylated. Quinapril Me. 4',5'-Diiodofluorescein. Inabenfide, N,O-bis(tert-butyldimethylsilyl)-. 2-(2-Pyridyl)propane-1,3-diol, ferroceneboronate derivative. Beclomethasone, tetra-TMS. Benazepril desethyl 3Me (Benazeprilate 3Me). Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7-phenyl.

Find more compounds similar to 1,2,3-Benzotriazine-4(3h)-one, 6-nitro-.

Sources

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