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CAS No.: | 95310-48-8 |
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Name: | ETHYL (R)-(+)-4-BROMO-3-HYDROXYBUTYRATE |
Molecular Structure: | |
Formula: | C6H11BrO3 |
Molecular Weight: | 211.05 |
Synonyms: | 1H-Imidazole,4-(4-ethoxyphenyl)-2-[2-(2-furanyl)ethenyl]-5-phenyl- (9CI); |
Density: | 1.484 g/cm3 |
Boiling Point: | 285.1 °C at 760 mmHg |
Flash Point: | 126.2 °C |
PSA: | 46.53000 |
LogP: | 0.69540 |
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The Ethyl (3R)-4-bromo-3-hydroxybutanoate, with the CAS registry number 95310-48-8, is also known as Ethyl-(R)-(+)-bromo-3-hydroxybutanoate and Butanoic acid, 4-bromo-3-hdroxy-, ethyl ester, (3R)-. This chemical's molecular formula is C6H11BrO3 and molecular weight is 211.05. What's more, its systematic name is Ethyl (3R)-4-bromo-3-hydroxybutanoate.
Physical properties about Ethyl (3R)-4-bromo-3-hydroxybutanoate are: (1)ACD/LogP: 0.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 62.12; (8)ACD/KOC (pH 7.4): 62.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.53Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 40.84 cm3; (15)Molar Volume: 142.1 cm3; (16)Polarizability: 16.19 × 10-24 cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.484 g/cm3; (19)Flash Point: 126.2 °C; (20)Enthalpy of Vaporization: 60.82 kJ/mol ; (21)Boiling Point: 285.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000329 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H](CBr)CC(=O)OCC
(2) InChI: InChI=1/C6H11BrO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1
(3) InChIKey: AIZRKZQHJNWBEI-RXMQYKEDBG