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| CAS No.: | 135613-33-1 |
|---|---|
| Name: | 3-(2-Bromo-phenyl)-propionic acid ethyl ester |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H13BrO2 |
| Molecular Weight: | 257.127 |
| Synonyms: | 3-(2-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER;Ethyl 3-(2-broMophenyl)propionate, 98%;O-broMophenolethyl propionate;Ethyl 3-(2-broMophenyl)propanoate |
| Density: | 1.343 g/cm3 |
| Boiling Point: | 299.382 °C at 760 mmHg |
| Flash Point: | 134.862 °C |
| PSA: | 26.30000 |
| LogP: | 2.94480 |
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Specification
The 3-(2-Bromophenyl)propionic acid ethyl ester, with the CAS registry number 135613-33-1, has the molecular formula C11H13BrO2. Besides, its molecular weight is 257.1237. Its systematic name is called ethyl 3-(2-bromophenyl)propanoate.
Physical properties of 3-(2-Bromophenyl)propionic acid ethyl ester: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 300; (5)ACD/BCF (pH 7.4): 300; (6)ACD/KOC (pH 5.5): 2063; (7)ACD/KOC (pH 7.4): 2063; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 59.166 cm3; (12)Molar Volume: 191.438 cm3; (13)Surface Tension: 39.016 dyne/cm; (14)Density: 1.343 g/cm3; (15)Flash Point: 134.862 °C; (16)Enthalpy of Vaporization: 53.937 kJ/mol; (17)Boiling Point: 299.382 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CCC(=O)OCC
(2)InChI: InChI=1/C11H13BrO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
(3)InChIKey: ZKICRDRBPPOQLM-UHFFFAOYAB