4-(Methylsulfonyl)-3-nitrobenzoic acid is an organic compound with the formula C₈H₇NO₆S, and its systematic name is the same with the product name. With the CAS registry number 81029-08-5, it is also named as 4-Methylsulfonyl-3-nitro-benzoate. Its EINECS number is 279-676-6. In addition, the molecular weight is 245.21.

Physical properties of 4-(Methylsulfonyl)-3-nitrobenzoic acid are: (1)ACD/LogP: 1.125; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -2.01; (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: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 125.64 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 52.506 cm³; (15)Molar Volume: 155.582 cm³; (16)Polarizability: 20.815×10^-24cm³; (17)Surface Tension: 64.47 dyne/cm; (18)Density: 1.576 g/cm³; (19)Flash Point: 261.249 °C; (20)Enthalpy of Vaporization: 81.99 kJ/mol; (21)Boiling Point: 508.363 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1[N+]([O-])=O)C(=O)O)C
(2)Std. InChI: InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
(3)Std. InChIKey: MZIWQSVCXANUIX-UHFFFAOYSA-N