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| CAS No.: | 52864-56-9 |
|---|---|
| Name: | (2-bromo-4-chlorophenyl)acetic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H6BrClO2 |
| Molecular Weight: | 249.491 |
| Synonyms: | (2-bromo-4-chlorophenyl)acetic acid;Benzeneacetic acid,2-broMo-4-chloro- |
| Density: | 1.72g/cm3 |
| Boiling Point: | 347.657 °C at 760 mmHg |
| Flash Point: | 164.057 °C |
| PSA: | 37.30000 |
| LogP: | 2.72960 |
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- Total:38 Page 1 of 1 1
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Specification
The 2-Bromo-4-chlorophenylacetic acid, with CAS registry number 52864-56-9, has the systematic name of (2-bromo-4-chlorophenyl)acetic acid. Besides this, it is also called 2-(2-Bromo-4-chlorophenyl)acetic acid. And the chemical formula of this chemical is C8H6BrClO2.
Physical properties of 2-Bromo-4-chlorophenylacetic acid: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 49.952 cm3; (14)Molar Volume: 145.012 cm3; (15)Polarizability: 19.802×10-24cm3; (16)Surface Tension: 53.415 dyne/cm; (17)Density: 1.72 g/cm3; (18)Flash Point: 164.057 °C; (19)Enthalpy of Vaporization: 62.471 kJ/mol; (20)Boiling Point: 347.657 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Cl)ccc1CC(O)=O
(2)InChI: InChI=1/C8H6BrClO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: BWAQWLHENYXBOQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H6BrClO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
(5)Std. InChIKey: BWAQWLHENYXBOQ-UHFFFAOYSA-N