The Glycine, N-[(2, 6-difluorophenyl)sulfonyl]-, with the CAS registry number 731003-82-0, is also known as {[(2, 6-Difluorophenyl)sulfonyl]amino}acetic acid. This chemical's molecular formula is C8H7F2NO4S and molecular weight is 251.2073. What's more, its systematic name is N-[(2, 6-Difluorophenyl)sulfonyl]glycine.
Physical properties about Glycine, N-[(2, 6-difluorophenyl)sulfonyl]- are: (1)ACD/LogP: 0.27; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.06 Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 50.35 cm3; (13)Molar Volume: 159.5 cm3; (14)Polarizability: 19.96×10-24 cm3; (15)Surface Tension: 52 dyne/cm; (16)Density: 1.574 g/cm3; (17)Flash Point: 208.1 °C; (18)Enthalpy of Vaporization: 71.09 kJ/mol; (19)Boiling Point: 420.4 °C at 760 mmHg; (20)Vapour Pressure: 8.06E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1c(F)cccc1F)NCC(=O)O
(2) InChI: InChI=1/C8H7F2NO4S/c9-5-2-1-3-6(10)8(5)16(14,15)11-4-7(12)13/h1-3,11H,4H2,(H,12,13)
(3) InChIKey: MSHZFLDBUGYYJF-UHFFFAOYAR
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