The 2(3H)-Benzothiazolone,6-nitro-, with CAS registry number 28620-12-4, belongs to the following product categories: (1)Benzothiazole; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Thiazolines/Thiazolidines. It has the systematic name of 6-nitro-1,3-benzothiazol-2(3H)-one. And the chemical formula of this chemical is C₇H₄N₂O₃S.

Physical properties of 2(3H)-Benzothiazolone,6-nitro-: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.98; (6)ACD/BCF (pH 7.4): 7.67; (7)ACD/KOC (pH 5.5): 153.94; (8)ACD/KOC (pH 7.4): 147.91; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 91.43 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 47.38 cm³; (15)Molar Volume: 122.3 cm³; (16)Polarizability: 18.78×10^-24cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.603 g/cm³; (19)Flash Point: 236.9 °C; (20)Enthalpy of Vaporization: 75.82 kJ/mol; (21)Boiling Point: 468.1 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 3H-benzothiazol-2-one. This reaction will need reagent nitric acid. The reaction time is 2.5 hour(s) with reaction temperature of 50 - 60 ℃. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1c(SC(=O)N1)c2
(2)InChI: InChI=1/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
(3)InChIKey: QITPMSSAFSZYOP-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
(5)Std. InChIKey: QITPMSSAFSZYOP-UHFFFAOYSA-N