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148533-73-7

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Basic Information
CAS No.: 148533-73-7
Name: 5-NITRO-2-(4-PYRIDINYL)-1H-BENZIMIDAZOLE
Article Data: 10
Molecular Structure:
Molecular Structure of 148533-73-7 (5-NITRO-2-(4-PYRIDINYL)-1H-BENZIMIDAZOLE)
Formula: C12H8N4O2
Molecular Weight: 240.22
Synonyms: 1H-Benzimidazole,5-nitro-2-(4-pyridinyl)- (9CI);5-Nitro-2-pyridin-4-yl-1H-benzoimidazole;6-Nitro-2-(pyridin-4-yl)-1H-benzimidazole;
Density: 1.451 g/cm3
Melting Point: 224-226 °C
Boiling Point: 527.1 °C at 760 mmHg
Flash Point: 272.6 °C
Hazard Symbols: IrritantXi
PSA: 87.39000
LogP: 3.05630
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Specification

The 1H-Benzimidazole,6-nitro-2-(4-pyridinyl)-, with the CAS registry number 148533-73-7, is also known as 5-Nitro-2-pyridin-4-yl-1H-benzoimidazole. This chemical's molecular formula is C12H8N4O2 and molecular weight is 240.22. What's more, its systematic name is 6-nitro-2-(pyridin-4-yl)-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,6-nitro-2-(4-pyridinyl)- are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.14; (6)ACD/BCF (pH 7.4): 3.95; (7)ACD/KOC (pH 5.5): 95.72; (8)ACD/KOC (pH 7.4): 91.3; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.53 Å2; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 65.84 cm3; (15)Molar Volume: 165.4 cm3; (16)Polarizability: 26.1×10-24cm3; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 272.6 °C; (20)Enthalpy of Vaporization: 80.16 kJ/mol; (21)Boiling Point: 527.1 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc1c(nc(n1)c2ccncc2)cc3
(2)InChI: InChI=1S/C12H8N4O2/c17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8/h1-7H,(H,14,15)
(3)InChIKey: MPOIUZUPKNLRIJ-UHFFFAOYSA-N