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136350-70-4

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Basic Information
CAS No.: 136350-70-4
Name: 4-(4-BROMO-PHENYL)-1-METHYL-1H-IMIDAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 136350-70-4 (4-(4-BROMO-PHENYL)-1-METHYL-1H-IMIDAZOLE)
Formula: C10H9BrN2
Molecular Weight: 237.099
Synonyms: 4-(4-Bromophenyl)-1-methyl-1H-imidazole;
Density: 1.449 g/cm3
Boiling Point: 399.078 °C at 760 mmHg
Flash Point: 195.156 °C
PSA: 17.82000
LogP: 2.84960
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Specification

The CAS registry number of 1H-Imidazole,4-(4-bromophenyl)-1-methyl- is 136350-70-4. This chemical's molecular formula is C10H9BrN2 and molecular weight is 237.099. What's more, its systematic name is called 4-(4-Bromophenyl)-1-methyl-imidazole.

Physical properties about 1H-Imidazole,4-(4-bromophenyl)-1-methyl- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 2.868; (5)ACD/BCF (pH 5.5): 7.339; (6)ACD/BCF (pH 7.4): 85.896; (7)ACD/KOC (pH 5.5): 68.97; (8)ACD/KOC (pH 7.4): 807.268; (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: 1.626; (14)Molar Refractivity: 57.912 cm3; (15)Molar Volume: 163.679 cm3; (16)Surface Tension: 43.668 dyne/cm; (17)Density: 1.449 g/cm3; (18)Flash Point: 195.156 °C; (19)Enthalpy of Vaporization: 62.442 kJ/mol; (20)Boiling Point: 399.078 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn1cc(nc1)c2ccc(cc2)Br
(2) InChI: InChI=1/C10H9BrN2/c1-13-6-10(12-7-13)8-2-4-9(11)5-3-8/h2-7H,1H3
(3) InChIKey: WZXAMFSRWIZVLK-UHFFFAOYAY