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Predicted properties of the compound entered.

ID ABEUJUYEUCCZQF-UHFFFAOYSA-N
Formula C7H6ClNO3
IUPAC Name 4-chloro-2-methoxy-1-nitrobenzene
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
Standard InChIKey (User Input) InChIKey=ABEUJUYEUCCZQF-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 4-chloro-2-methoxy-1-nitrobenzene | 4-chloro-2-methoxy-1-nitro-benzene | 6627-53-8 | 2-Nitro-5-chloroanisole | 4-Chloro-2-methoxynitrobenzene | 5-Chloro-2-nitro-1-methoxybenzene | 5-Chloro-2-nitroanisole | Anisole, 2-nitro-5-chloro- | Anisole, 5-chloro-2-nitro- | Benzene, 4-chloro-2-methoxy-1-nitro- | NSC60112 | C58606_ALDRICH | EINECS 229-594-1 | ZINC01690006 | ST5406281 | NSC 60112
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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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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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