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CAS No.: | 774-47-0 |
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Name: | 5,6-difluoro-indoline-2,3-dione |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H3F2NO2 |
Molecular Weight: | 183.114 |
Synonyms: | 1H-Indole-2,3-dione, 5,6-difluoro-; |
Density: | 1.578 g/cm3 |
PSA: | 46.17000 |
LogP: | 1.23760 |
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This chemical has the systematic name 5,6-Difluoro-1H-indole-2,3-dione, and it's also named as 1H-Indole-2,3-dione, 5,6-difluoro-. With the molecular formula of C8H3F2NO2, its molecular weight is 183.11. The CAS registry number of this chemical is 774-47-0.
Other characteristics of the 5,6-Difluoro-1H-indole-2,3-dione can be summarised as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 1.57; (7)ACD/KOC (pH 5.5): 82.89; (8)ACD/KOC (pH 7.4): 38.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 37.41 cm3; (15)Molar Volume: 115.9 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.578 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc2c(cc1F)NC(=O)C2=O
2.InChI: InChI=1/C8H3F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
3.InChIKey: FQIJOGDQWRLSQW-UHFFFAOYAE