The Benzoic acid,6-amino-2,3-difluoro-, with the CAS registry number 442134-72-7, is also known as 2,3-Difluoro-6-aminobenzoic acid. This chemical's molecular formula is C7H5F2NO2 and molecular weight is 173.1169. Its systematic name is called 6-amino-2,3-difluorobenzoic acid.
Physical properties of Benzoic acid,6-amino-2,3-difluoro-: (1)ACD/LogP: 1.91; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.87; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.578; (10)Molar Refractivity: 37.4 cm3; (11)Molar Volume: 112.6 cm3; (12)Surface Tension: 56.9 dyne/cm; (13)Density: 1.536 g/cm3; (14)Flash Point: 145.8 °C; (15)Enthalpy of Vaporization: 59.01 kJ/mol; (16)Boiling Point: 317.5 °C at 760 mmHg; (17)Vapour Pressure: 0.000161 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(F)c(F)ccc1N
(2)InChI: InChI=1/C7H5F2NO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,10H2,(H,11,12)
(3)InChIKey: CKPWBLHHQXCINB-UHFFFAOYAP
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