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Predicted properties of the compound entered.

ID GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Formula C7H4N2O3
IUPAC Name 1-isocyanato-3-nitrobenzene
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H
Standard InChIKey (User Input) InChIKey=GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 1-isocyanato-3-nitrobenzene | 1-isocyanato-3-nitro-benzene | 3320-87-4 | AI3-28251 | EINECS 222-025-8 | NSC 5385 | 3-NITROPHENYL ISOCYANATE | Benzene, 1-isocyanato-3-nitro- | Isocyanic acid, m-nitrophenyl ester | NSC5385 | m-Nitrophenyl isocyanate | ZINC00164794 | 269417_ALDRICH | SB 01754
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
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