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886502-90-5

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Basic Information
CAS No.: 886502-90-5
Name: 2,6-DICHLORO-4-(TRIFLUOROMETHOXY)BENZOIC ACID
Molecular Structure:
Molecular Structure of 886502-90-5 (2,6-DICHLORO-4-(TRIFLUOROMETHOXY)BENZOIC ACID)
Formula: C8H3Cl2F3O3
Molecular Weight: 275.01
Synonyms: 2,6-DICHLORO-4-(TRIFLUOROMETHOXY)BENZOIC ACID
Density: 1.654 g/cm3
Melting Point: 151-153℃
Boiling Point: 282.1 °C at 760 mmHg
Flash Point: 124.4 °C
PSA: 46.53000
LogP: 3.59020
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Specification

The 2,6-Dichloro-4-(trifluoromethoxy)benzoic acid, with the CAS registry number 886502-90-5, has the molecular formula C8H3Cl2F3O3. Besides, its molecular weight is 275.00883. Its IUPAC name is called 2,6-dichloro-4-(trifluoromethoxy)benzoic acid.

Physical properties of 2,6-Dichloro-4-(trifluoromethoxy)benzoic acid: (1)ACD/LogP: 3.76; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.02; (7)ACD/KOC (pH 7.4): 1.88; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 50.1 cm3; (13)Molar Volume: 166.2 cm3; (14)Surface Tension: 41.2 dyne/cm; (15)Density: 1.654 g/cm3; (16)Flash Point: 124.4 °C; (17)Enthalpy of Vaporization: 55.02 kJ/mol; (18)Boiling Point: 282.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00162 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)OC(F)(F)F
(2)InChI: InChI=1S/C8H3Cl2F3O3/c9-4-1-3(16-8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H,14,15)
(3)InChIKey: HJBCPDRNEWTQCH-UHFFFAOYSA-N