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CAS No.: | 62871-28-7 |
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Name: | 2-(1H-BENZIMIDAZOL-2-YL)-4-BROMOPHENOL |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C13H9BrN2O |
Molecular Weight: | 289.131 |
Synonyms: | Phenol,2-(2-benzimidazolyl)-4-bromo- (6CI,7CI);2-(2-Benzimidazolyl)-4-bromophenol;2-(2'-Hydroxy-5'-bromophenyl)benzimidazole;2-(1H-benzo[d]imidazol-2-yl)-4-bromophenol; |
Density: | 1.652 g/cm3 |
Melting Point: | 256-257℃ |
Boiling Point: | 486.6 °C at 760 mmHg |
Flash Point: | 248.1 °C |
PSA: | 48.91000 |
LogP: | 3.69800 |
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The Phenol, 2-(1H-benzimidazol-2-yl)-4-bromo-, its CAS registry number is 62871-28-7. This chemical's molecular formula is C13H9BrN2O and molecular weight is 289.1274. What's more, its systematic name is called 2-(1H-Benzimidazol-2-yl)-4-bromo-phenol.
Physical properties about Phenol, 2-(1H-benzimidazol-2-yl)-4-bromo- are: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.68; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.91 Å2; (9)Index of Refraction: 1.742; (10)Molar Refractivity: 70.78 cm3; (11)Molar Volume: 174.9 cm3; (12)Polarizability: 28.06×10-24 cm3; (13)Surface Tension: 68.6 dyne/cm; (14)Density: 1.652 g/cm3; (15)Flash Point: 248.1 °C; (16)Enthalpy of Vaporization: 78.09 kJ/mol; (17)Boiling Point: 486.6 °C at 760 mmHg; (18)Vapour Pressure: 4.31E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)[nH]c(n2)c3cc(ccc3O)Br
(2) InChI: InChI=1/C13H9BrN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)
(3) InChIKey: DHGHFCLCUPPGKW-UHFFFAOYAM