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CAS No.: | 288266-54-6 |
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Name: | (N-(3-TRIFLUOROMETHYL)BENZENESULFONYL)ALANINE |
Molecular Structure: | |
Formula: | C10H10F3NO4S |
Molecular Weight: | 297.25 |
Synonyms: | 2-[3-(Trifluoromethyl)benzenesulfonamide]propionic acid;(N-(3-Trifluoromethyl)benzenesulfonyl)alanine; |
Density: | 1.474 g/cm3 |
Melting Point: | 123-125 °C |
Boiling Point: | 421.8 °C at 760 mmHg |
Flash Point: | 208.9 °C |
PSA: | 91.85000 |
LogP: | 2.92850 |
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The CAS register number of L-Alanine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]- is 288266-54-6. It also can be called as 2-[3-(Trifluoromethyl)benzenesulfonamide]propionic acid and the systematic name about this chemical is N-{[3-(trifluoromethyl)phenyl]sulfonyl}alanine. The molecular formula about this chemical is C10H10F3NO4S and the molecular weight is 297.25.
Physical properties about L-Alanine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]- are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): -0.78; (3)ACD/LogD (pH 7.4): -1.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.06 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 59.73 cm3; (14)Molar Volume: 201.5 cm3; (15)Polarizability: 23.67x10-24cm3; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.474 g/cm3; (18)Flash Point: 208.9 °C; (19)Enthalpy of Vaporization: 71.25 kJ/mol; (20)Boiling Point: 421.8 °C at 760 mmHg; (21)Vapour Pressure: 7.21E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)S(=O)(=O)NC(C(=O)O)C
(2)InChI: InChI=1/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)(3)InChIKey: OZVPEEXYQQFKJL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)
(5)Std. InChIKey: OZVPEEXYQQFKJL-UHFFFAOYSA-N