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| CAS No.: | 66191-86-4 |
|---|---|
| Name: | methyl 3-(2-bromophenyl)propanoate |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C10H11BrO2 |
| Molecular Weight: | 243.1 |
| Synonyms: | Methyl 3-(2-bromophenyl)propionate |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 282.983 °C at 760 mmHg |
| Flash Point: | 124.944 °C |
| PSA: | 26.30000 |
| LogP: | 2.55470 |
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Specification
The cas number of Methyl 3-(2-bromophenyl)propionate is 66191-86-4. Its molecular formula is C10H11BrO2. This chemical is a kind of organics, should be stored in cool and dry environment.
The properties of the chemical are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 118; (6)ACD/BCF (pH 7.4): 118; (7)ACD/KOC (pH 5.5): 1060; (8)ACD/KOC (pH 7.4): 1060; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 54.533 cm3; (15)Molar Volume: 174.931 cm3; (16)Polarizability: 21.619×10-24cm3; (17)Surface Tension: 39.543 dyne/cm; (18)Enthalpy of Vaporization: 52.188 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CCC(=O)OC
(2)InChI: InChI=1/C10H11BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3