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| CAS No.: | 18645-89-1 |
|---|---|
| Name: | 1H-BENZIMIDAZOLE, 4-FLUORO-2-METHYL- |
| Molecular Structure: | |
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| Formula: | C8H7FN2 |
| Molecular Weight: | 150.155 |
| Synonyms: | 1H-Benzimidazole,4-fluoro-2-methyl- (9CI);Benzimidazole, 4-fluoro-2-methyl- (8CI);4-Fluoro-2-methylbenzimidazole;4-Fluoro-2-methyl-1H-1,3-benzodiazole; |
| Density: | 1.299 g/cm3 |
| Boiling Point: | 343.6 °C at 760 mmHg |
| Flash Point: | 161.6 °C |
| PSA: | 28.68000 |
| LogP: | 2.01040 |
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Specification
The 1H-Benzimidazole,7-fluoro-2-methyl-, with the CAS registry number 18645-89-1, is also known as 4-Fluoro-2-methyl-1H-1,3-benzodiazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C8H7FN2 and molecular weight is 150.15. What's more, its systematic name is 4-fluoro-2-methyl-1H-benzimidazole.
Physical properties of 1H-Benzimidazole,7-fluoro-2-methyl- are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 5.94; (7)ACD/KOC (pH 5.5): 60.03; (8)ACD/KOC (pH 7.4): 124.07; (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: 1.636; (14)Molar Refractivity: 41.43 cm3; (15)Molar Volume: 115.5 cm3; (16)Polarizability: 16.42×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 161.6 °C; (20)Enthalpy of Vaporization: 56.43 kJ/mol; (21)Boiling Point: 343.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000138 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc2nc(C)nc12
(2)InChI: InChI=1S/C8H7FN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: DPTKIOOAVCOXBE-UHFFFAOYSA-N