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259667-71-5

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Basic Information
CAS No.: 259667-71-5
Name: 6-IODO-4-TRIFLUOROMETHYL-ISATIN
Molecular Structure:
Molecular Structure of 259667-71-5 (6-IODO-4-TRIFLUOROMETHYL-ISATIN)
Formula: C9H3F3INO2
Molecular Weight: 341.028
Synonyms: 6-iodo-4-(trifluoromethyl)-1H-indole-2,3-dione;
Density: 2.09 g/cm3
PSA: 46.17000
LogP: 2.58280
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Specification

The CAS registry number of 1H-Indole-2,3-dione,6-iodo-4-(trifluoromethyl)- is 259667-71-5. This chemical's molecular formula is C9H3F3INO2 and molecular weight is 341.0253. Its systematic name is called 6-iodo-4-(trifluoromethyl)-1H-indole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,6-iodo-4-(trifluoromethyl)-: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 79; (5)ACD/BCF (pH 7.4): 66; (6)ACD/KOC (pH 5.5): 790; (7)ACD/KOC (pH 7.4): 666; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 55.311 cm3; (12)Molar Volume: 163.136 cm3; (13)Surface Tension: 46.928 dyne/cm; (14)Density: 2.09 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(I)cc2c1C(=O)C(=O)N2
(2)InChI: InChI=1/C9H3F3INO2/c10-9(11,12)4-1-3(13)2-5-6(4)7(15)8(16)14-5/h1-2H,(H,14,15,16)
(3)InChIKey: PIZDFQVLDVEAJF-UHFFFAOYAD