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| CAS No.: | 85845-02-9 |
|---|---|
| Name: | (([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)ACETIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8F3NO4S |
| Molecular Weight: | 283.228 |
| Synonyms: | 2-[[(3-Trifluoromethylphenyl)sulfonyl]amino]aceticacid; |
| Density: | 1.533g/cm3 |
| Melting Point: | 148-149℃ |
| Boiling Point: | 421.2 °C at 760 mmHg |
| Flash Point: | 208.5 °C |
| PSA: | 91.85000 |
| LogP: | 2.54000 |
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- Total:13 Page 1 of 1 1
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Specification
The Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-, with CAS registry number 85845-02-9, has the systematic name of N-{[3-(trifluoromethyl)phenyl]sulfonyl}glycine. Besides this, it is also called (([3-(Trifluoromethyl)phenyl]sulfonyl)amino)acetic acid. And the chemical formula of this chemical is C9H8F3NO4S.
Physical properties of Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-: (1)ACD/LogP: 1.51; (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: 1.508; (12)Molar Refractivity: 55.12 cm3; (13)Molar Volume: 184.6 cm3; (14)Polarizability: 21.85×10-24cm3; (15)Surface Tension: 44 dyne/cm; (16)Density: 1.533 g/cm3; (17)Flash Point: 208.5 °C; (18)Enthalpy of Vaporization: 71.18 kJ/mol; (19)Boiling Point: 421.2 °C at 760 mmHg; (20)Vapour Pressure: 7.56E-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)NCC(=O)O
(2)InChI: InChI=1/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
(3)InChIKey: YSZHCOBVLXGMJQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
(5)Std. InChIKey: YSZHCOBVLXGMJQ-UHFFFAOYSA-N