4-CHLORO-2-FLUORO-5-NITROBENZOIC ACID

The 4-Chloro-2-fluoro-5-nitrobenzoic acid, with the CAS registry number 35112-05-1, is also known as Benzoic acid, 4-chloro-2-fluoro-5-nitro-. It belongs to the product categories of Blocks; Carboxes; FluoroCompounds; NitroCompounds. This chemical's molecular formula is C₇H₃ClFNO₄ and molecular weight is 219.55. What's more, its systematic name is 4-Chloro-2-fluoro-5-nitrobenzoic acid.

Physical properties of 4-Chloro-2-fluoro-5-nitrobenzoic acid are: (1)ACD/LogP: 2.366; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.12 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 44.617 cm³; (15)Molar Volume: 129.965 cm³; (16)Polarizability: 17.688×10^-24cm³; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.689 g/cm³; (19)Flash Point: 172.346 °C; (20)Enthalpy of Vaporization: 64.065 kJ/mol; (21)Boiling Point: 361.362 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(c(F)cc1Cl)C(=O)O
(2)Std. InChI: InChI=1S/C7H3ClFNO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)
(3)Std. InChIKey: KAONECPATVTFST-UHFFFAOYSA-N