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20927-95-1

Basic Information
CAS No.: 20927-95-1
Name: Dibenzofuran, 2-nitro-
Article Data: 33
Molecular Structure:
Molecular Structure of 20927-95-1 (Dibenzofuran, 2-nitro-)
Formula: C12H7NO3
Molecular Weight: 213.1889
Synonyms: 2-Nitrodibenzofuran;
Density: 1.399g/cm3
Melting Point: 149 °C
Boiling Point: 379.6 °C at 760 mmHg
Flash Point: 183.4 °C
PSA: 58.96000
LogP: 4.01740
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    2-Nitrodibenzofuran

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Specification

The Dibenzofuran, 2-nitro-, with CAS registry number 20927-95-1, has the systematic name of 2-nitrodibenzo[b,d]furan. Besides this, it is also called 2-Nitrodiphenylene oxide. Its classification code is Mutation data. And the chemical formula of this chemical is C12H7NO3.

Physical properties of Dibenzofuran, 2-nitro-: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 496.62; (6)ACD/BCF (pH 7.4): 496.62; (7)ACD/KOC (pH 5.5): 2960.86; (8)ACD/KOC (pH 7.4): 2960.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.96 Å2; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 60.78 cm3; (15)Molar Volume: 152.3 cm3; (16)Polarizability: 24.09×10-24cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.399 g/cm3; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 60.31 kJ/mol; (21)Boiling Point: 379.6 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c3ccccc3oc1cc2
(2)InChI: InChI=1/C12H7NO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
(3)InChIKey: YPFPLEUXZNAAEE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H7NO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
(5)Std. InChIKey: YPFPLEUXZNAAEE-UHFFFAOYSA-N