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401567-12-2
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Basic Information
CAS No.: 401567-12-2
Name: 1H-Benzimidazole,2-chloro-5-fluoro-1-methyl-(9CI)
Article Data: 4
Molecular Structure:
Molecular Structure of 401567-12-2 (1H-Benzimidazole,2-chloro-5-fluoro-1-methyl-(9CI))
Formula: C8H6ClFN2
Molecular Weight: 184.6
Synonyms: 2-Chloro-5-fluoro-1-methyl-1H-benzimidazole;
Density: 1.408 g/cm3
Boiling Point: 307.997 °C at 760 mmHg
Flash Point: 140.072 °C
PSA: 17.82000
LogP: 2.36580
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Specification

The 1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- has the CAS registry number 401567-12-2. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C8H6ClFN2 and molecular weight is 184.60. What's more, its systematic name is 2-chloro-5-fluoro-1-methyl-1H-benzimidazole. 

Physical properties of 1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 73; (6)ACD/BCF (pH 7.4): 73; (7)ACD/KOC (pH 5.5): 749; (8)ACD/KOC (pH 7.4): 751; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 45.608 cm3; (15)Molar Volume: 131.093 cm3; (16)Polarizability: 18.08×10-24cm3; (17)Surface Tension: 39.681 dyne/cm; (18)Density: 1.408 g/cm3; (19)Flash Point: 140.072 °C; (20)Enthalpy of Vaporization: 54.864 kJ/mol; (21)Boiling Point: 307.997 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)nc(Cl)n2C
(2)InChI: InChI=1S/C8H6ClFN2/c1-12-7-3-2-5(10)4-6(7)11-8(12)9/h2-4H,1H3
(3)InChIKey: ZOHVWGDSBHMZLO-UHFFFAOYSA-N