4-Iodo-3-nitrobenzoic acid

The systematic name of this chemical is 4-iodo-3-nitrobenzoic acid. With the CAS registry number 35674-27-2, it is also named as benzoic acid, 4-iodo-3-nitro-. The product's categories are aromatic carboxylic acids, amides, anilides, anhydrides & salts and benzoic acid series. It is sensitive to light. So it must be sealed in the container which should be placed in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 52.63 cm³; (14)Molar Volume: 135.8 cm³; (15)Polarizability: 20.86×10^-24 cm³; (16)Surface Tension: 75.4 dyne/cm; (17)Enthalpy of Vaporization: 67.47 kJ/mol; (18)Vapour Pressure: 8.66E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: O=[N+]([O-])c1cc(ccc1I)C(=O)O;
2. InChI: InChI=1/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11).