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6-Nitro-3-indazolecarboxylic acid

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Name

6-Nitro-3-indazolecarboxylic acid

EINECS N/A
CAS No. 857801-97-9 Density 1.733 g/cm3
PSA 111.80000 LogP 1.69250
Solubility N/A Melting Point 268 °C (decomp)
Formula C8H5N3O4 Boiling Point 547.1 °C at 760 mmHg
Molecular Weight 207.145 Flash Point 284.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 857801-97-9 (6-Nitro-3-indazolecarboxylic acid) Hazard Symbols N/A
Synonyms

3-Isoindazolecarboxylicacid, 6-nitro- (3CI);6-Nitro-1H-indazole-3-carboxylic acid;6-Nitroindazole-3-carboxylic acid;

 

6-Nitro-3-indazolecarboxylic acid Specification

The 6-Nitro-3-indazolecarboxylic acid, its cas register number is 857801-97-9. It also can be called as 6-Nitro-1H-indazole-3-carboxylic acid and the Systematic name about this chemical is 6-nitro-1H-indazole-3-carboxylic acid.

Following are the chemical properties about 6-Nitro-3-indazolecarboxylic acid: (1)#H bond acceptors: 7; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 111.8Å2; (5)Index of Refraction: 1.779; (6)Molar Refractivity: 50.09 cm3; (7)Molar Volume: 119.4 cm3; (8)Polarizability: 19.85x10-24cm3; (9)Surface Tension: 105 dyne/cm; (10)Enthalpy of Vaporization: 86.96 kJ/mol; (11)Vapour Pressure: 8.37E-13 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)nnc2C(O)=O
(2)InChI: InChI=1/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
(3)InChIKey: AZQFFHKDZNETBK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
(5)Std. InChIKey: AZQFFHKDZNETBK-UHFFFAOYSA-N

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