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14227-14-6

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Basic Information
CAS No.: 14227-14-6
Name: 2,4,5-Trimethoxynitrobenzene
Article Data: 29
Molecular Structure:
Molecular Structure of 14227-14-6 (2,4,5-Trimethoxynitrobenzene)
Formula: C9H11NO5
Molecular Weight: 213.19
Synonyms: 1,2,4-Trimethoxy-5-nitrobenzene;2,4,5-Trimethoxynitrobenzene;
Density: 1.23 g/cm3
Boiling Point: 357.3 °C at 760 mmHg
Flash Point: 169.9 °C
PSA: 73.51000
LogP: 2.14380
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Specification

The Benzene,1,2,4-trimethoxy-5-nitro-, with the CAS registry number 14227-14-6, is also known as 2,4,5-Trimethoxynitrobenzene. This chemical's molecular formula is C9H11NO5 and molecular weight is 213.19. What's more, its systematic name is 1,2,4-trimethoxy-5-nitrobenzene.

Physical properties of Benzene,1,2,4-trimethoxy-5-nitro- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 73.51 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 52.83 cm3; (9)Molar Volume: 173.2 cm3; (10)Polarizability: 20.94×10-24cm3; (11)Surface Tension: 38.9 dyne/cm; (12)Density: 1.23 g/cm3; (13)Flash Point: 169.9 °C; (14)Enthalpy of Vaporization: 57.89 kJ/mol; (15)Boiling Point: 357.3 °C at 760 mmHg; (16)Vapour Pressure: 5.67E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(OC)cc(OC)c(OC)c1
(2)Std. InChI: InChI=1S/C9H11NO5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3
(3)Std. InChIKey: SXVFZZZETDRISD-UHFFFAOYSA-N