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CAS No.: | 2996-30-7 |
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Name: | 3-Fluoro-4-iodonitrobenzene |
Molecular Structure: | |
Formula: | C6H3FINO2 |
Molecular Weight: | 266.998 |
Synonyms: | NSC 24643;Benzene,2-fluoro-1-iodo-4-nitro-;3-Fluoro-4-iodonitrobenzene; |
Density: | 2.093 g/cm3 |
Melting Point: | 129-130 °C |
Boiling Point: | 291.451 °C at 760 mmHg |
Flash Point: | 130.065 °C |
PSA: | 45.82000 |
LogP: | 2.86170 |
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3-Fluoro-4-iodonitrobenzene is an organic compound with the formula C6H3FINO2, and its systematic name is the same with the product name. With the CAS registry number 2996-30-7, it is also named as 3-Fluoro-4-iodonitrobenzene. In addition, the molecular weight is 267.00.
Physical properties of 3-Fluoro-4-iodonitrobenzene are: (1)ACD/LogP: 3.204; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.20; (4)ACD/LogD (pH 7.4): 3.20; (5)ACD/BCF (pH 5.5): 160.32; (6)ACD/BCF (pH 7.4): 160.32; (7)ACD/KOC (pH 5.5): 1318.08; (8)ACD/KOC (pH 7.4): 1318.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 45.699 cm3; (15)Molar Volume: 127.558 cm3; (16)Polarizability: 18.116×10-24cm3; (17)Surface Tension: 53.82 dyne/cm; (18)Density: 2.093 g/cm3; (19)Flash Point: 130.065 °C; (20)Enthalpy of Vaporization: 50.961 kJ/mol; (21)Boiling Point: 291.451 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)ccc1I
(2)Std. InChI: InChI=1S/C6H3FINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
(3)Std. InChIKey: QLAFWGDKYKHVKC-UHFFFAOYSA-N