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1150618-44-2

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Basic Information
CAS No.: 1150618-44-2
Name: (4-Bromo-1-methyl-1H-benzoimidazol-2-yl)-methanol
Molecular Structure:
Molecular Structure of 1150618-44-2 ((4-Bromo-1-methyl-1H-benzoimidazol-2-yl)-methanol)
Formula: C9H9BrN2O
Molecular Weight: 241.08456
Synonyms: (4-Bromo-1-methyl-benzimidazol-2-yl)methanol;
Density: 1.664 g/cm3
Boiling Point: 406.88 °C at 760 mmHg
Flash Point: 199.874 °C
PSA: 38.05000
LogP: 1.82810
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Specification

The (4-Bromo-1-methyl-1H-benzoimidazol-2-yl)-methanol has CAS registry number 1150618-44-2. This chemical's molecular formula is C9H9BrN2O and molecular weight is 241.08456. What's more, its systematic name is called (4-Bromo-1-methyl-benzimidazol-2-yl)methanol.

Physical properties about (4-Bromo-1-methyl-1H-benzoimidazol-2-yl)-methanol are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.215; (4)ACD/LogD (pH 7.4): 1.218; (5)ACD/BCF (pH 5.5): 4.925; (6)ACD/BCF (pH 7.4): 4.961; (7)ACD/KOC (pH 5.5): 108.732; (8)ACD/KOC (pH 7.4): 109.528; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.155 cm3; (15)Molar Volume: 144.872 cm3; (16)Surface Tension: 51.355 dyne/cm; (17)Density: 1.664 g/cm3; (18)Flash Point: 199.874 °C; (19)Enthalpy of Vaporization: 69.455 kJ/mol; (20)Boiling Point: 406.88 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn1c2cccc(c2nc1CO)Br
(2) InChI: InChI=1/C9H9BrN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-4,13H,5H2,1H3
(3) InChIKey: RFVPSSTUGWUKOA-UHFFFAOYAU