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1003709-67-8

Basic Information
CAS No.: 1003709-67-8
Name: 4-METHOXY-2,3,5-TRIFLUOROBENZOIC ACID
Molecular Structure:
Molecular Structure of 1003709-67-8 (4-METHOXY-2,3,5-TRIFLUOROBENZOIC ACID)
Formula: C8H5F3O3
Molecular Weight: 206.12
Synonyms: 4-Methoxy-2,3,5-trifluorobenzoic acid;
Density: 1.487 g/cm3
Boiling Point: 267.266 °C at 760 mmHg
Flash Point: 115.439 °C
PSA: 46.53000
LogP: 1.81070
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Specification

The 2,3,5-Trifluoro-4-methoxybenzoic acid, with the CAS registry number 1003709-67-8, is also known as 4-Methoxy-2,3,5-trifluorobenzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. This chemical's molecular formula is C8H5F3O3 and molecular weight is 206.12. What's more, its systematic name is 2,3,5-Trifluoro-4-methoxybenzoic acid.

Physical properties of 2,3,5-Trifluoro-4-methoxybenzoic acid are: (1)ACD/LogP: 2.423; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.10; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.49; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 39.843 cm3; (15)Molar Volume: 138.594 cm3; (16)Polarizability: 15.795×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.487 g/cm3; (19)Flash Point: 115.439 °C; (20)Enthalpy of Vaporization: 53.379 kJ/mol; (21)Boiling Point: 267.266 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(cc(F)c1OC)C(O)=O
(2)Std. InChI: InChI=1S/C8H5F3O3/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2H,1H3,(H,12,13)
(3)Std. InChIKey: SGQBBRRGMRJQPE-UHFFFAOYSA-N