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

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Name

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

EINECS N/A
CAS No. 959236-59-0 Density 1.611 g/cm3
PSA 65.98000 LogP 1.40020
Solubility N/A Melting Point N/A
Formula C8H5FN2O2 Boiling Point 445.851 °C at 760 mmHg
Molecular Weight 180.138 Flash Point 223.443 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 959236-59-0 (7-fluoro-1H-indazole-3-carboxylic acid) Hazard Symbols N/A
Synonyms

7-fluoro-1H-indazole-3-carboxylic acid;3-Carboxy-7-fluoro-1H-indazole;7-Fluoroindazole-3-carboxylic acid

 

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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