5-NITROOXINDOLE

The 2H-Indol-2-one,1,3-dihydro-5-nitro-, with the CAS registry number 20870-79-5, is also known as 5-Nitro-2-indolinone. It belongs to the product categories of Oxindoles; Blocks; Indoles Oxindoles; Nitro Compounds; Indoles and derivatives; Indoline & Oxindole; Indoles. This chemical's molecular formula is C₈H₆N₂O₃ and molecular weight is 178.14. What's more, its systematic name is 5-nitro-1,3-dihydro-2H-indol-2-one. It should be kept cold.

Physical properties of 2H-Indol-2-one,1,3-dihydro-5-nitro-are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.479; (4)ACD/LogD (pH 7.4): 1.479; (5)ACD/BCF (pH 5.5): 7.829; (6)ACD/BCF (pH 7.4): 7.829; (7)ACD/KOC (pH 5.5): 151.822; (8)ACD/KOC (pH 7.4): 151.821; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.92 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 43.84 cm³; (15)Molar Volume: 122.897 cm³; (16)Polarizability: 17.379×10^-24cm³; (17)Surface Tension: 60.632 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 202.593 °C; (20)Enthalpy of Vaporization: 66.384 kJ/mol; (21)Boiling Point: 411.375 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact. 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 and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N(=O)=O)CC(=O)N2
(2)Std. InChI: InChI=1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)
(3)Std. InChIKey: JQCGHRDKVZPCRO-UHFFFAOYSA-N