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CAS No.: | 108662-49-3 |
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Name: | 2-CHLORO-5-FLUOROBENZIMIDAZOLE |
Molecular Structure: | |
Formula: | C7H4ClFN2 |
Molecular Weight: | 170.57 |
Synonyms: | 1H-Benzimidazole,2-chloro-5-fluoro- (9CI);2-Chloro-5-fluoro-1H-benzimidazole;5-Fluoro-2-chlorobenzimidazole; |
Density: | 1.533 g/cm3 |
Boiling Point: | 332.888 °C at 760 mmHg |
Flash Point: | 155.126 °C |
PSA: | 28.68000 |
LogP: | 2.35540 |
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This chemical is called 1H-Benzimidazole,2-chloro-6-fluoro-, and its systematic name is 2-Chloro-6-fluoro-1H-benzimidazole. With the molecular formula of C7H4ClFN2, its molecular weight is 170.57. The CAS registry number of the chemical is 108662-49-3.
Other characteristics of 1H-Benzimidazole,2-chloro-6-fluoro- can be summarised as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 44; (7)ACD/KOC (pH 5.5): 640; (8)ACD/KOC (pH 7.4): 478; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 41.509 cm3; (15)Molar Volume: 111.256 cm3; (16)Polarizability: 16.455×10-24cm3; (17)Surface Tension: 58.625 dyne/cm; (18)Density: 1.533 g/cm3; (19)Flash Point: 155.126 °C; (20)Enthalpy of Vaporization: 57.57 kJ/mol; (21)Boiling Point: 332.888 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc1c(nc(Cl)n1)cc2
2.InChI: InChI=1/C7H4ClFN2/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,(H,10,11)
3.InChIKey: UZIXQYXXJBMILL-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C7H4ClFN2/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,(H,10,11)
5.Std. InChIKey: UZIXQYXXJBMILL-UHFFFAOYSA-N