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| CAS No.: | 857801-97-9 |
|---|---|
| Name: | 6-Nitro-3-indazolecarboxylic acid |
| Molecular Structure: | |
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| Formula: | C8H5N3O4 |
| Molecular Weight: | 207.145 |
| Synonyms: | 3-Isoindazolecarboxylicacid, 6-nitro- (3CI);6-Nitro-1H-indazole-3-carboxylic acid;6-Nitroindazole-3-carboxylic acid; |
| Density: | 1.733 g/cm3 |
| Melting Point: | 268 °C (decomp) |
| Boiling Point: | 547.1 °C at 760 mmHg |
| Flash Point: | 284.7 °C |
| PSA: | 111.80000 |
| LogP: | 1.69250 |
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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