The 1H-Indole-2,3-dione,7-(trifluoromethoxy)-, with the CAS registry number 149125-30-4, is also known as 7-Trifluoromethoxyisatin. This chemical's molecular formula is C9H4F3NO3 and molecular weight is 231.13. Its systematic name is called 7-(Trifluoromethoxy)-1H-indole-2,3-dione.
Physical properties of 1H-Indole-2,3-dione,7-(trifluoromethoxy)-: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 7.32; (6)ACD/KOC (pH 5.5): 154.16; (7)ACD/KOC (pH 7.4): 141.07; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 44.56 cm3; (13)Molar Volume: 147.9 cm3; (14)Surface Tension: 40.5 dyne/cm; (15)Density: 1.562 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc2cccc1c2NC(=O)C1=O
(2)InChI: InChI=1/C9H4F3NO3/c10-9(11,12)16-5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
(3)InChIKey: JDVUYYNGNVYMKQ-UHFFFAOYAB
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