This chemical is called Benzaldehyde, 2-fluoro-6-iodo-, and its systematic name is 2-fluoro-6-iodobenzaldehyde. With the molecular formula of C7H4FIO, its molecular weight is 250.01. The CAS registry number of this chemical is 146137-72-6.
Other characteristics of the Benzaldehyde, 2-fluoro-6-iodo- can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 97; (6)ACD/BCF (pH 7.4): 97; (7)ACD/KOC (pH 5.5): 923; (8)ACD/KOC (pH 7.4): 923; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 45.906 cm3; (15)Molar Volume: 127.382 cm3; (16)Polarizability: 18.199×10-24cm3; (17)Surface Tension: 47.873 dyne/cm; (18)Density: 1.963 g/cm3; (19)Flash Point: 109.646 °C Enthalpy of Vaporization: 49.526 kJ/mol; (20)Boiling Point: 257.687 °C at 760 mmHg Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c(F)cccc1I
2.InChI: InChI=1/C7H4FIO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
3.InChIKey: DUCCBZWPROUBNU-UHFFFAOYAO
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