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122329-02-6

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Basic Information
CAS No.: 122329-02-6
Name: 2-Tetradecyloxynitrobenzene
Article Data: 2
Molecular Structure:
Molecular Structure of 122329-02-6 (2-Tetradecyloxynitrobenzene)
Formula: C20H33NO3
Molecular Weight: 335.487
Synonyms: 2-Nitrophenyltetradecyl ether;o-Nitrophenyl tetradecyl ether;
Density: 0.987 g/cm3
Boiling Point: 443.4 °C at 760 mmHg
Flash Point: 149.3 °C
PSA: 55.05000
LogP: 7.19790
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Specification

The 2-Tetradecyloxynitrobenzene, with the CAS registry number 122329-02-6, is also known as Benzene, 1-nitro-2-(tetradecyloxy)-. This chemical's molecular formula is C20H33NO3 and formula weight is 335.48. What's more, its systematic name is called 1-Nitro-2-(tetradecyloxy)benzene.

Physical properties about this chemical are: (1)ACD/LogP: 8.64; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.498; (8)Molar Refractivity: 99.7 cm3; (9)Molar Volume: 339.8 cm3; (10)Surface Tension: 36.7 dyne/cm; (11)Density: 0.987 g/cm3; (12)Flash Point: 149.3 °C; (13)Enthalpy of Vaporization: 67.4 kJ/mol; (14)Boiling Point: 443.4 °C at 760 mmHg; (15)Vapour Pressure: 1.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1OCCCCCCCCCCCCCC
(2)InChI: InChI=1/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-20-17-14-13-16-19(20)21(22)23/h13-14,16-17H,2-12,15,18H2,1H3
(3)InChIKey: PZZKFDTVGVZNJP-UHFFFAOYAH