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5-Fluoro-3-iodo-1H-indazole

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Name

5-Fluoro-3-iodo-1H-indazole

EINECS N/A
CAS No. 858629-06-8 Density 2.158 g/cm3
PSA 28.68000 LogP 2.30660
Solubility N/A Melting Point N/A
Formula C7H4FIN2 Boiling Point 361.4 °C at 760 mmHg
Molecular Weight 262.025 Flash Point 172.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 858629-06-8 (5-Fluoro-3-iodo-1H-indazole) Hazard Symbols N/A
Synonyms

3-Iodo-5-fluoro-1H-indazole;

 

5-Fluoro-3-iodo-1H-indazole Specification

The 5-Fluoro-3-iodo-1H-indazole, with the cas registry number of 858629-06-8, is also known as 1H-Indazole, 5-fluoro-3-iodo. This chemical's molecular formula is C7H4FIN2 and formula weight is 262.02. What's more, its systematic name is called 5-Fluoro-3-iodo-1H-indazole.

Physical properties about this chemical are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 28.68 Å2; (9)Index of Refraction: 1.751; (10)Molar Refractivity: 49.52 cm3; (11)Molar Volume: 121.3 cm3; (12)Surface Tension: 67.2 dyne/cm; (13)Density: 2.158 g/cm3; (14)Flash Point: 172.4 °C; (15)Enthalpy of Vaporization: 58.33 kJ/mol; (16)Boiling Point: 361.4 °C at 760 mmHg; (17)Vapour Pressure: 4.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1)nnc2I;
(2)InChI: InChI=1/C7H4FIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11);
(3)InChIKey: CZUPBTJBMHZBTJ-UHFFFAOYAY.

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