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Name |
Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- |
EINECS | N/A |
CAS No. | 810662-38-5 | Density | 1.44 g/cm3 |
PSA | 34.89000 | LogP | 2.75830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H11BrN2O | Boiling Point | 417.9 °C at 760 mmHg |
Molecular Weight | 279.136 | Flash Point | 206.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 2 |
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