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CAS No.: | 810662-38-5 |
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Name: | 2-bromo-1-(4-(4-methyl-1Himidazol-1-yl)phenyl)ethanone |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H11BrN2O |
Molecular Weight: | 279.136 |
Synonyms: | 2-Bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanone;2-Brom-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanon; |
Density: | 1.44 g/cm3 |
Boiling Point: | 417.9 °C at 760 mmHg |
Flash Point: | 206.6 °C |
PSA: | 34.89000 |
LogP: | 2.75830 |
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The CAS register number of Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- is 810662-38-5. It also can be called as 2-Bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanone and 2-Brom-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanon. The molecular formula about this chemical is C12H11BrN2O and molecular weight is 279.13254.
Physical properties about Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 2.41; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.89Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 67.98 cm3; (9)Molar Volume: 193.2 cm3; (10)Polarizability: 26.95x10-24cm3; (11)Surface Tension: 46.1 dyne/cm; (12)Flash Point: 206.6 °C; (13)Enthalpy of Vaporization: 67.14 kJ/mol; (14)Boiling Point: 417.9 °C at 760 mmHg; (15)Vapour Pressure: 3.41E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cn(cn1)c2ccc(cc2)C(=O)CBr
(2)InChI: InChI=1/C12H11BrN2O/c1-9-7-15(8-14-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6H2,1H3
(3)InChIKey: LKQQZQZAQABIRT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H11BrN2O/c1-9-7-15(8-14-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6H2,1H3
(5)Std. InChIKey: LKQQZQZAQABIRT-UHFFFAOYSA-N