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84944-77-4

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Basic Information
CAS No.: 84944-77-4
Name: 2,3-Dihydro-5,7-dinitrobenzofuran
Molecular Structure:
Molecular Structure of 84944-77-4 (2,3-Dihydro-5,7-dinitrobenzofuran)
Formula: C8H6N2O5
Molecular Weight: 210.14364
Synonyms: 2,3-Dihydro-5,7-dinitrobenzofuran;
Density: 1.577 g/cm3
Boiling Point: 355 °C at 760 mmHg
Flash Point: 181 °C
Hazard Symbols: IrritantXi
PSA: 100.87000
LogP: 2.48430
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Specification

The Benzofuran, 2,3-dihydro-5,7-dinitro-, with the CAS registry number 84944-77-4, is also known as 2,3-Dihydro-5,7-dinitrobenzofuran. It belongs to the product categories of Blocks; Building Blocks; Nitro Compounds. This chemical's molecular formula is C8H6N2O5 and molecular weight is 210.14364. What's more, its systematic name is called 5,7-Dinitro-2,3-dihydro-1-benzofuran. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about Benzofuran, 2,3-dihydro-5,7-dinitro- are: (1) ACD/LogP: 1.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.57; (4) ACD/LogD (pH 7.4): 1.57; (5) ACD/BCF (pH 5.5): 9.2; (6) ACD/BCF (pH 7.4): 9.2; (7) ACD/KOC (pH 5.5): 170.39; (8) ACD/KOC (pH 7.4): 170.39; (9) #H bond acceptors: 7; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 100.87 Å2; (13) Index of Refraction: 1.648; (14) Molar Refractivity: 48.51 cm3; (15) Molar Volume: 133.2 cm3; (16) Surface Tension: 72.6 dyne/cm; (17) Density: 1.577 g/cm3; (18) Flash Point: 181 °C; (19) Enthalpy of Vaporization: 57.65 kJ/mol; (20) Boiling Point: 355 °C at 760 mmHg; (21)Vapour Pressure: 6.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cc2CCOc2c(c1)N(=O)=O
(2) InChI: InChI=1/C8H6N2O5/c11-9(12)6-3-5-1-2-15-8(5)7(4-6)10(13)14/h3-4H,1-2H2
(3) InChIKey: NDLMVUTUPSDFML-UHFFFAOYAG