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| CAS No.: | 858629-06-8 |
|---|---|
| Name: | 5-Fluoro-3-iodo-1H-indazole |
| Molecular Structure: | |
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| Formula: | C7H4FIN2 |
| Molecular Weight: | 262.025 |
| Synonyms: | 3-Iodo-5-fluoro-1H-indazole; |
| Density: | 2.158 g/cm3 |
| Boiling Point: | 361.4 °C at 760 mmHg |
| Flash Point: | 172.4 °C |
| PSA: | 28.68000 |
| LogP: | 2.30660 |
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- Total:38 Page 1 of 1 1
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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.