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CAS No.: | 220801-66-1 |
---|---|
Name: | METHYL 2-(5-BROMO-2-HYDROXYPHENYL) ACETATE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H9BrO3 |
Molecular Weight: | 245.073 |
Synonyms: | 2-(5-Bromo-2-hydroxyphenyl)aceticacid methyl ester; |
Density: | 1.562 g/cm3 |
Boiling Point: | 317.143 °C at 760 mmHg |
Flash Point: | 145.603 °C |
PSA: | 46.53000 |
LogP: | 1.87020 |
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The Benzeneacetic acid,5-bromo-2-hydroxy-, methyl ester, with CAS registry number 220801-66-1, has the systematic name of methyl (5-bromo-2-hydroxyphenyl)acetate. Besides this, it is also called Methyl 2-(5-bromo-2-hydroxyphenyl) acetate. And the chemical formula of this chemical is C9H9BrO3.
Physical properties of Benzeneacetic acid,5-bromo-2-hydroxy-, methyl ester: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 30; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 393; (8)ACD/KOC (pH 7.4): 379; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 51.782 cm3; (15)Molar Volume: 156.854 cm3; (16)Polarizability: 20.528×10-24cm3; (17)Surface Tension: 48.481 dyne/cm; (18)Density: 1.562 g/cm3; (19)Flash Point: 145.603 °C; (20)Enthalpy of Vaporization: 58.077 kJ/mol; (21)Boiling Point: 317.143 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(O)cc1)CC(=O)OC
(2)InChI: InChI=1/C9H9BrO3/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4,11H,5H2,1H3
(3)InChIKey: WDMIWHBNMUBGHF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9BrO3/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4,11H,5H2,1H3
(5)Std. InChIKey: WDMIWHBNMUBGHF-UHFFFAOYSA-N