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Name |
1H-Indole-2,3-dione,4-chloro-7-methyl- |
EINECS | N/A |
CAS No. | 61258-72-8 | Density | 1.44 g/cm3 |
PSA | 46.17000 | LogP | 1.92120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6ClNO2 | Boiling Point | N/A |
Molecular Weight | 195.605 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-7-methyl-1H-indole-2,3-dione;4-Chloro-7-methylisatin; |
Article Data | 1 |
The 1H-Indole-2,3-dione,4-chloro-7-methyl-, with the CAS registry number 61258-72-8, is also known as 4-Chlor-7-methyl-1H-indol-2,3-dion. It belongs to the product category of Isatin Series. This chemical's molecular formula is C9H6ClNO2 and molecular weight is 195.60244. Its IUPAC name is called 4-chloro-7-methyl-1H-indole-2,3-dione.
Physical properties of 1H-Indole-2,3-dione,4-chloro-7-methyl-: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.92; (5)ACD/BCF (pH 7.4): 9.84; (6)ACD/KOC (pH 5.5): 179.9; (7)ACD/KOC (pH 7.4): 178.37; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.611; (11)Molar Refractivity: 47.14 cm3; (12)Molar Volume: 135.7 cm3; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.44 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2
(2)InChI: InChI=1S/C9H6ClNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: MWCJCUFHPFXQLS-UHFFFAOYSA-N