| Identification | |
| Name: | Benzenepropanoic acid,4-bromo-, methyl ester |
| Synonyms: | 3-(4-Bromophenyl)propionicacid methyl ester; Methyl 3-(4-bromophenyl)propionate; Methylp-bromophenylpropanoate |
| CAS: | 75567-84-9 |
| Molecular Formula: | C10H11 Br O2 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.39g/cm3 |
| Refractive index: | 1.536 |
| Specification: |
The Methyl 3-(4-bromophenyl)propanoate, with CAS registry number 75567-84-9, has the systematic name of methyl 3-(4-bromophenyl)propanoate. Besides this, it is also called benzenepropanoic acid, 4-bromo-, methyl ester. And the chemical formula of this chemical is C10H11BrO2. Physical properties of Methyl 3-(4-bromophenyl)propanoate: (1)ACD/LogP: 3.28; (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: 26.3 Å2; (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: 52.642 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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