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CAS No.: | 32570-23-3 |
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Name: | 1-(3-NITROPHENYL)-2,5-DIMETHYLPYRROLE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H12N2O2 |
Molecular Weight: | 216.239 |
Synonyms: | 1-(3-Nitrophenyl)-2,5-dimethylpyrrole; |
Density: | 1.18 g/cm3 |
Boiling Point: | 352.3 °C at 760 mmHg |
Flash Point: | 166.9 °C |
Hazard Symbols: | Xi |
PSA: | 50.75000 |
LogP: | 3.52550 |
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The 1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)-, with the CAS registry number 32570-23-3, is also known as 1-(3-Nitrophenyl)-2,5-dimethylpyrrole. This chemical's molecular formula is C12H12N2O2 and molecular weight is 216.2359. What's more, its systematic name is called 2,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrrole.
Physical properties about 1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)- are: (1)ACD/LogP: 3.73; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.75 Å2; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 61.99 cm3; (9)Molar Volume: 183.1 cm3; (10)Polarizability: 24.57×10-24 cm3; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.18 g/cm3; (13)Flash Point: 166.9 °C; (14)Enthalpy of Vaporization: 57.35 kJ/mol; (15)Boiling Point: 352.3 °C at 760 mmHg; (16)Vapour Pressure: 7.87E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)n2c(ccc2C)C
(2) InChI: InChI=1/C12H12N2O2/c1-9-6-7-10(2)13(9)11-4-3-5-12(8-11)14(15)16/h3-8H,1-2H3
(3) InChIKey: KGSYQKFMWVMRRU-UHFFFAOYAB