Benzoic acid,3-amino-2,6-difluoro- (83141-11-1)

The 3-Amino-2,6-difluorobenzoic acid, with the CAS registry number 83141-11-1, is also known as Benzoic acid, 3-amino-2,6-difluoro-. This chemical's molecular formula is C₇H₅F₂NO₂ and molecular weight is 173.12. Its systematic name is called 3-Amino-2,6-difluorobenzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 37.4 cm³; (12)Molar Volume: 112.6 cm³; (13)Surface Tension: 56.9 dyne/cm; (14)Density: 1.536 g/cm³; (15)Flash Point: 144.9 °C; (16)Enthalpy of Vaporization: 58.83 kJ/mol; (17)Boiling Point: 315.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(O)=O)c(F)ccc1N
(2)InChI: InChI=1/C7H5F2NO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)
(3)InChIKey: ORSUTLAFOCNIDY-UHFFFAOYAJ