2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole

The CAS register number of 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole is 5044-22-4. It also can be called as 1-(4-Nitrophenyl)-2,5-dimethylpyrrole and the systematic name about this chemical is 2,5-dimethyl-1-(4-nitrophenyl)pyrrole. The molecular formula about this chemical is C₁₂H₁₂N₂O₂ and the molecular weight is 216.24.

Physical properties about 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole are: (1)ACD/LogP: 3.73; (2)ACD/LogD (pH 5.5): 3.73; (3)ACD/LogD (pH 7.4): 3.73; (4)ACD/BCF (pH 5.5): 402.66; (5)ACD/BCF (pH 7.4): 402.66; (6)ACD/KOC (pH 5.5): 2548.13; (7)ACD/KOC (pH 7.4): 2548.13; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.75 Å²; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 61.99 cm³; (13)Molar Volume: 183.1 cm³; (14)Polarizability: 24.57x10^-24cm³; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 171 °C; (18)Enthalpy of Vaporization: 58.08 kJ/mol; (19)Boiling Point: 359.1 °C at 760 mmHg; (20)Vapour Pressure: 5.03E-05 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. It is stable under normal temperature and pressure. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. The hazard class of this chemical is irritant. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)n2c(ccc2C)C
(2)InChI: InChI=1/C12H12N2O2/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)14(15)16/h3-8H,1-2H3
(3)InChIKey: JXJRCFOGAIXRCU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H12N2O2/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)14(15)16/h3-8H,1-2H3
(5)Std. InChIKey: JXJRCFOGAIXRCU-UHFFFAOYSA-N