Name: 1H-Benzimidazole,1-(fluoromethyl)-2-methyl-(9CI)
SKU: 120720-70-9

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Basic Information

Molecular Structure:
CAS No.:	120720-70-9
Name:	1H-Benzimidazole,1-(fluoromethyl)-2-methyl-(9CI)

Formula:	C₉H₉FN₂
Molecular Weight:	164.18
Synonyms:	1-(Fluoromethyl)-2-methyl-1H-benzimidazole;1-(Fluoromethyl)-2-methyl-1H-benzo[d]imidazole;
Density:	1.19 g/cm³
Boiling Point:	299.2 °C at 760 mmHg
Flash Point:	134.7 °C
PSA:	17.82000
LogP:	2.27170

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Specification

The 1H-Benzimidazole,1-(fluoromethyl)-2-methyl-, with the CAS registry number 120720-70-9, is also known as 1-(Fluoromethyl)-2-methyl-1H-benzo[d]imidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₉H₉FN₂ and molecular weight is 164.18. What's more, its systematic name is 1-(fluoromethyl)-2-methyl-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,1-(fluoromethyl)-2-methyl- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 10.37; (6)ACD/BCF (pH 7.4): 20.91; (7)ACD/KOC (pH 5.5): 151.54; (8)ACD/KOC (pH 7.4): 305.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 45.61 cm³; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 18.08×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 51.76 kJ/mol; (21)Boiling Point: 299.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00215 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FCn1c2ccccc2nc1C
(2)InChI: InChI=1S/C9H9FN2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10/h2-5H,6H2,1H3
(3)InChIKey: JIOLYHJCHOXTCC-UHFFFAOYSA-N