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| CAS No.: | 192799-05-6 |
|---|---|
| Name: | 6-Bromo-5-chloro-1H-indole-2,3-dione |
| Molecular Structure: | |
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| Formula: | C8H3BrClNO2 |
| Molecular Weight: | 260.47 |
| Synonyms: | 6-Bromo-5-chloro-1H-indole-2,3-dione;6-Bromo-5-chloro-isatin; |
| Density: | 1.919g/cm3 |
| PSA: | 46.17000 |
| LogP: | 2.37530 |
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Specification
The 6-Bromo-5-chloro-1H-indole-2,3-dione with cas registry number of 192799-05-6, its chemical propertie is reddish powder. Systematic name of 6-Bromo-5-chloro-1H-indole-2,3-dione is 6-bromo-5-chloro-indoline-2,3-dione. It is also called 6-Bromo-5-chloro-isatin. And the 6-Bromo-5-chloro-1H-indole-2,3-dione belongs to the following product categories: (1)Aromatics Compounds; (2)Aromatics; (3)Heterocycles.
Physical properties of 6-Bromo-5-chloro-1H-indole-2,3-dione: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 46.17 Å2; (9)Index of Refraction: 1.658; (10)Molar Refractivity: 50 cm3; (11)Molar Volume: 135.6 cm3; (12)Polarizability: 19.82×10-24cm3; (13)Surface Tension: 61 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES:c1c2c(cc(c1Cl)Br)NC(=O)C2=O;
(2)InChI:InChI=1/C8H3BrClNO2/c9-4-2-6-3(1-5(4)10)7(12)8(13)11-6/h1-2H,(H,11,12,13);
(3)InChIKey:VILDUFSHBWCWIF-UHFFFAOYAO;
(4)Std. InChI:InChI=1S/C8H3BrClNO2/c9-4-2-6-3(1-5(4)10)7(12)8(13)11-6/h1-2H,(H,11,12,13);
(5)Std. InChIKey:VILDUFSHBWCWIF-UHFFFAOYSA-N.