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CAS No.: | 117565-90-9 |
---|---|
Name: | Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H11BrO3 |
Molecular Weight: | 259.1 |
Synonyms: | Methyl (2-bromo-5-methoxyphenyl)acetate; |
Density: | 1.42 g/cm3 |
Boiling Point: | 309.006 °C at 760 mmHg |
Flash Point: | 140.682 °C |
PSA: | 35.53000 |
LogP: | 2.17320 |
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The Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester has the CAS registry number 117565-90-9. This chemical's molecular formula is C10H11BrO3 and molecular weight is 259.1. What's more, its systematic name is methyl (2-bromo-5-methoxyphenyl)acetate.
Physical properties of Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester are: (1)ACD/LogP: 2.93; (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): 96; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 916; (8)ACD/KOC (pH 7.4): 916; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 56.578 cm3; (15)Molar Volume: 182.427 cm3; (16)Polarizability: 22.429×10-24cm3; (17)Surface Tension: 38.886 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 140.682 °C; (20)Enthalpy of Vaporization: 54.973 kJ/mol; (21)Boiling Point: 309.006 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OC)cc1CC(=O)OC
(2)InChI: InChI=1S/C10H11BrO3/c1-13-8-3-4-9(11)7(5-8)6-10(12)14-2/h3-5H,6H2,1-2H3
(3)InChIKey: IGZZCVJQEPJTNK-UHFFFAOYSA-N