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| CAS No.: | 78155-76-7 |
|---|---|
| Name: | 5-Nitroindazole-3-carboxylic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H5 N3 O4 |
| Molecular Weight: | 207.145 |
| Synonyms: | 5-Nitro-1H-indazole-3-carboxylicacid; 5-Nitroindazole-3-carboxylic acid |
| Density: | 1.733g/cm3 |
| Boiling Point: | 547.1°C at 760 mmHg |
| Flash Point: | 284.7°C |
| PSA: | 111.80000 |
| LogP: | 1.69250 |
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Chemistry
Systematic Name: 5-Nitro-1H-indazole-3-carboxylic acid
Synonyms of 5-Nitroindazole-3-carboxylic acid (CAS NO.78155-76-7): 5-Nitro-1H-indazole-3-carboxylic acid
CAS NO: 78155-76-7
Molecular Formula: C8H5N3O4
Molecular Weight: 207.14
Molecular Structure: 
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 89.94 Å2
Index of Refraction: 1.779
Molar Refractivity: 50.09 cm3
Molar Volume: 119.4 cm3
Surface Tension: 105 dyne/cm
Density: 1.733 g/cm3
Flash Point: 284.7 °C
Enthalpy of Vaporization: 86.96 kJ/mol
Boiling Point: 547.1 °C at 760 mmHg
Vapour Pressure: 8.37E-13 mmHg at 25°C
SMILES: [O-][N+](=O)c1cc2c(cc1)nnc2C(=O)O
InChI: InChI=1/C8H5N3O4/c12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChIKey: MLTOGNYOQHDCAN-UHFFFAOYAT
Std. InChI: InChI=1S/C8H5N3O4/c12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
Std. InChIKey: MLTOGNYOQHDCAN-UHFFFAOYSA-N