9H-Purine, 2-fluoro- (1598-61-4)

The CAS register number of 2-Fluoropurine is 1598-61-4. It also can be called as 9H-Purine, 2-fluoro- and the IUPAC name about this chemical is 2-fluoro-7H-purine. The molecular formula about this chemical is C₅H₃FN₄ and the molecular weight is 138.10. It belongs to the following product categories, such as Pyrimidine; Purines and so on.

Physical properties about 2-Fluoropurine are: (1)ACD/LogP: -0.22; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.97; (7)ACD/KOC (pH 7.4): 16.48; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 43.6Ų; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 32.79 cm³; (13)Molar Volume: 85.7 cm³; (14)Polarizability: 13x10^-24cm³; (15)Surface Tension: 84.8 dyne/cm; (16)Enthalpy of Vaporization: 78.72 kJ/mol; (17)Boiling Point: 540.3 °C at 760 mmHg; (18)Vapour Pressure: 3.42E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ncc2c(n1)ncn2
(2)InChI: InChI=1/C5H3FN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
(3)InChIKey: BTTUXUIQQBLIQE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H3FN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
(5)Std. InChIKey: BTTUXUIQQBLIQE-UHFFFAOYSA-N