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CAS No.: | 885532-41-2 |
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Name: | 4-Bromo-2,5-dichlorobenzoic Acid |
Molecular Structure: | |
Formula: | C7H3BrCl2O2 |
Molecular Weight: | 269.91 |
Synonyms: | 4-Bromo-2,5-dichlorobenzoic acid;benzoic acid, 4-bromo-2,5-dichloro- |
Density: | 1.9g/cm3 |
Boiling Point: | 347.574 °C at 760 mmHg |
Flash Point: | 164.007 °C |
PSA: | 37.30000 |
LogP: | 3.45410 |
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The 4-Bromo-2,5-dichlorobenzoic Acid, with CAS registry number 885532-41-2, has the systematic name of 4-bromo-2,5-dichlorobenzoic acid. Besides this, it is also called benzoic acid, 4-bromo-2,5-dichloro-. And the chemical formula of this chemical is C7H3BrCl2O2.
Physical properties of 4-Bromo-2,5-dichlorobenzoic Acid: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 50.663 cm3; (15)Molar Volume: 142.049 cm3; (16)Polarizability: 20.084×10-24cm3; (17)Surface Tension: 57.779 dyne/cm; (18)Density: 1.9 g/cm3; (19)Flash Point: 164.007 °C; (20)Enthalpy of Vaporization: 62.461 kJ/mol; (21)Boiling Point: 347.574 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(O)=O)c(Cl)cc1Br
(2)InChI: InChI=1/C7H3BrCl2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
(3)InChIKey: DVJHKDHDHAPDPH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H3BrCl2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
(5)Std. InChIKey: DVJHKDHDHAPDPH-UHFFFAOYSA-N