Benzoicacid, 2,3,4-trifluoro-5-nitro- (197520-71-1)

This chemical is called 5-Nitro-2,3,4-trifluorobenzoic acid, and its systematic name is 2,3,4-trifluoro-5-nitrobenzoic acid. With the molecular formula of C₇H₂F₃NO₄, its molecular weight is 221.09. The CAS registry number of this chemical is 197520-71-1.

Other characteristics of the 5-Nitro-2,3,4-trifluorobenzoic acid can be summarised as followings: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 83.12 Å²; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 39.71 cm³; (13)Molar Volume: 126.434 cm³; (14)Polarizability: 15.742×10^-24cm³; (15)Surface Tension: 56.254 dyne/cm; (16)Density: 1.749 g/cm³; (17)Flash Point: 165.279 °C; (18)Enthalpy of Vaporization: 62.705 kJ/mol; (19)Boiling Point: 349.678 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1. SMILES: Fc1c(cc(c(F)c1F)C(O)=O)N(=O)=O
2. InChI: InChI=1/C7H2F3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1H,(H,12,13)
3. InChIKey: BCMIOBTWFPSPJJ-UHFFFAOYAL
4. Std. InChI: InChI=1S/C7H2F3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1H,(H,12,13)
5. Std. InChIKey: BCMIOBTWFPSPJJ-UHFFFAOYSA-N