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54255-79-7

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Basic Information
CAS No.: 54255-79-7
Name: 1H-BENZIMIDAZOLE, 2-(2-CHLORO-5-NITROPHENYL)-
Article Data: 8
Molecular Structure:
Molecular Structure of 54255-79-7 (1H-BENZIMIDAZOLE, 2-(2-CHLORO-5-NITROPHENYL)-)
Formula: C13H8ClN3O2
Molecular Weight: 273.678
Synonyms: 1H-BENZIMIDAZOLE, 2-(2-CHLORO-5-NITROPHENYL)-;2-(2-Chloro-5-nitrophenyl)-1H-benzo[d]imidazole
Density: 1.485 g/cm3
Melting Point: 198-199 °C
Boiling Point: 499°C at 760 mmHg
Flash Point: 255.6°C
PSA: 74.50000
LogP: 4.31470
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Specification

This chemical is called 2-(2-Chloro-5-nitrophenyl)-1H-benzimidazole, and it's also named as 1H-Benzimidazole, 2-(2-chloro-5-nitrophenyl)-. With the molecular formula of C13H8ClN3O2, its molecular weight is 273.6745. The CAS registry number of this chemical is 54255-79-7.

Other characteristics of the 2-(2-Chloro-5-nitrophenyl)-1H-benzimidazole can be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 153.18; (6)ACD/BCF (pH 7.4): 160.66; (7)ACD/KOC (pH 5.5): 1258.22; (8)ACD/KOC (pH 7.4): 1319.67; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å2; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 72.65 cm3; (15)Molar Volume: 184.1 cm3; (16)Polarizability: 28.8×10-24cm3; (17)Surface Tension: 68.3 dyne/cm; (18)Density: 1.485 g/cm3; (19)Flash Point: 255.6 °C; (20)Enthalpy of Vaporization: 76.73 kJ/mol; (21)Boiling Point: 499 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c3cc(c2nc1ccccc1n2)c(Cl)cc3
2.InChI: InChI=1/C13H8ClN3O2/c14-10-6-5-8(17(18)19)7-9(10)13-15-11-3-1-2-4-12(11)16-13/h1-7H,(H,15,16)
3.InChIKey: MVUVFJQTTAIWDX-UHFFFAOYAB