2-Amino-3-(trifluoromethoxy)benzoic acid (561304-41-4)

The 2-Amino-3-(trifluoromethoxy)benzoic acid, with the CAS registry number 561304-41-4, belongs to the product categories of Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het. This chemical's molecular formula is C₈H₆F₃NO₃ and formula weight is 221.13. What's more, its systematic name is called 2-Amino-3-(trifluoromethoxy)benzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 3; (5) ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.55 Å²; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 44.555 cm³; (14)Molar Volume: 144.637 cm³; (15)Surface Tension: 45.438 dyne/cm; (16)Density: 1.529 g/cm³; (17)Melting Point: 99-101 °C; (18)Flash Point: 124.838 °C; (19)Enthalpy of Vaporization: 55.102 kJ/mol; (20)Boiling Point: 282.807 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1cccc(c1N)C(=O)O
(2)InChI: InChI=1/C8H6F3NO3/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
(3)InChIKey: BQPQFVVEWXYRMH-UHFFFAOYAN