This chemical is called 3-Thiophenecarboxamide, N-(2-fluorophenyl)-5-nitro-, and its CAS registry number is 146795-37-1. With the molecular formula of C11H7FN2O3S, its molecular weight is 266.25. The CAS registry number of this chemical is 146795-37-1. Additionally, its classification code is Mutation data.
Other characteristics of the 3-Thiophenecarboxamide, N-(2-fluorophenyl)-5-nitro- can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.37; (6)ACD/BCF (pH 7.4): 27.37; (7)ACD/KOC (pH 5.5): 371.88; (8)ACD/KOC (pH 7.4): 371.88; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 94.37 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 65.75 cm3; (15)Molar Volume: 173.8 cm3; (16)Polarizability: 26.06×10-24cm3; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.531 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 56.6 kJ/mol; (21)Boiling Point: 324 °C at 760 mmHg; (22)Vapour Pressure: 0.000252 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c2scc(C(=O)Nc1ccccc1F)c2
2.InChI: InChI=1/C11H7FN2O3S/c12-8-3-1-2-4-9(8)13-11(15)7-5-10(14(16)17)18-6-7/h1-6H,(H,13,15)
3.InChIKey: AAAZGXXMLCZMFO-UHFFFAOYAJ
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