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CAS No.: | 18711-15-4 |
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Name: | 4,6-DICHLORO-1H-INDOLE-2,3-DIONE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H3Cl2NO2 |
Molecular Weight: | 216.023 |
Synonyms: | Indole-2,3-dione,4,6-dichloro- (8CI);4,6-Dichloroisatin;NSC72897;AC1L5KVQ;AC1Q3MQL; |
Density: | 1.643 g/cm3 |
Melting Point: | 260.5-261℃ |
Appearance: | Yellow Powder |
PSA: | 46.17000 |
LogP: | 2.26620 |
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The 1H-Indole-2,3-dione,4,6-dichloro- with CAS registry number of 18711-15-4 is also known as 4,6-(Dichloro)isatin. The IUPAC name is 4,6-Dichloro-1H-indole-2,3-dione. In addition, the formula is C8H3Cl2NO2 and the molecular weight is 216.02.
Physical properties about 1H-Indole-2,3-dione,4,6-dichloro- are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 27.48; (5)ACD/BCF (pH 7.4): 25.86; (6)ACD/KOC (pH 5.5): 372.87; (7)ACD/KOC (pH 7.4): 350.92; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.637; (11)Molar Refractivity: 47.21 cm3; (12)Molar Volume: 131.4 cm3; (13)Surface Tension: 59.6 dyne/cm; (14)Density: 1.643 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: Clc1cc2c(c(Cl)c1)C(=O)C(=O)N2
2. InChI: InChI=1/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
3. InChIKey: CGCVHJCZBIYRQC-UHFFFAOYAT
4. Std. InChI: InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
5. Std. InChIKey: CGCVHJCZBIYRQC-UHFFFAOYSA-N