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385380-74-5

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Basic Information
CAS No.: 385380-74-5
Name: 1-(2-Fluoro-4-nitrophenyl)pyrrolidine
Article Data: 8
Molecular Structure:
Molecular Structure of 385380-74-5 (1-(2-Fluoro-4-nitrophenyl)pyrrolidine)
Formula: C10H11FN2O2
Molecular Weight: 210.208
Synonyms: 1-(2-Fluoro-4-nitrophenyl)pyrrolidine;Pyrrolidine, 1-(2-fluoro-4-nitrophenyl)-
Density: 1.313g/cm3
Boiling Point: 345.1 °C at 760 mmHg
Flash Point: 162.5 °C
PSA: 49.06000
LogP: 2.92230
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Specification

The 1-(2-Fluoro-4-nitrophenyl)pyrrolidine, with CAS registry number 385380-74-5, has the systematic name of 1-(2-fluoro-4-nitrophenyl)pyrrolidine. Besides this, it is also called Pyrrolidine, 1-(2-fluoro-4-nitrophenyl)-. And the chemical formula of this chemical is C10H11FN2O2.

Physical properties of 1-(2-Fluoro-4-nitrophenyl)pyrrolidine: (1)ACD/LogP: 3.13; (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: 49.06 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 52.99 cm3; (9)Molar Volume: 160 cm3; (10)Polarizability: 21×10-24cm3; (11)Surface Tension: 49.8 dyne/cm; (12)Enthalpy of Vaporization: 58.91 kJ/mol; (13)Vapour Pressure: 6.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(F)c(cc1)N2CCCC2
(2)InChI: InChI=1/C10H11FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
(3)InChIKey: SMKXLBISYVJESG-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H11FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
(5)Std. InChIKey: SMKXLBISYVJESG-UHFFFAOYSA-N