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3-Fluoro-4-iodonitrobenzene

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Name

3-Fluoro-4-iodonitrobenzene

EINECS N/A
CAS No. 2996-30-7 Density 2.093 g/cm3
PSA 45.82000 LogP 2.86170
Solubility N/A Melting Point 129-130 °C
Formula C6H3FINO2 Boiling Point 291.451 °C at 760 mmHg
Molecular Weight 266.998 Flash Point 130.065 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2996-30-7 (3-Fluoro-4-iodonitrobenzene) Hazard Symbols N/A
Synonyms

NSC 24643;Benzene,2-fluoro-1-iodo-4-nitro-;3-Fluoro-4-iodonitrobenzene;

 

3-Fluoro-4-iodonitrobenzene Specification

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 

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