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1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)-

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Name

1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)-

EINECS N/A
CAS No. 32570-23-3 Density 1.18 g/cm3
PSA 50.75000 LogP 3.52550
Solubility N/A Melting Point N/A
Formula C12H12N2O2 Boiling Point 352.3 °C at 760 mmHg
Molecular Weight 216.239 Flash Point 166.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 32570-23-3 (1-(3-NITROPHENYL)-2,5-DIMETHYLPYRROLE) Hazard Symbols IrritantXi
Synonyms

1-(3-Nitrophenyl)-2,5-dimethylpyrrole;

Article Data 12

1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)- Specification

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

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