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7-Fluoro-1H-indazole-3-carboxylic acid

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  • Name 7-Fluoro-1H-indazole-3-carboxylic acid
  • EINECSN/A
  • CAS No. 959236-59-0
  • Density1.611 g/cm3
  • PSA65.98000
  • LogP1.40020
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H5FN2O2
  • Boiling Point445.851 °C at 760 mmHg
  • Molecular Weight180.138
  • Flash Point223.443 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 959236-59-0 (7-fluoro-1H-indazole-3-carboxylic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

7-Fluoro-1H-indazole-3-carboxylic acid Specification

This chemical is called 7-Fluoro-1H-indazole-3-carboxylic acid, and it can also be named as 1H-indazole-3-carboxylic acid, 7-fluoro-. With the molecular formula of C8H5FN2O2, its molecular weight is 180.14. The CAS registry number of this chemical is 959236-59-0.

Other characteristics of the 7-Fluoro-1H-indazole-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.707; (12)Molar Refractivity: 43.544 cm3; (13)Molar Volume: 111.835 cm3; (14)Polarizability: 17.262×10-24cm3; (15)Surface Tension: 79.663 dyne/cm; (16)Density: 1.611 g/cm3; (17)Flash Point: 223.443 °C; (18)Enthalpy of Vaporization: 74.184 kJ/mol; (19)Boiling Point: 445.851 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc2c(c(c1)F)[nH]nc2C(=O)O
2.InChI: InChI=1/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
3.InChIKey: DFOSXJTYCNLCKG-UHFFFAOYAY

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