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1H-Indole-2,3-dione,5-bromo-7-methyl-

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Name

1H-Indole-2,3-dione,5-bromo-7-methyl-

EINECS
CAS No. 77395-10-9 Density 1.714 g/cm3
Solubility Melting Point 262℃ (decomposition)
Formula C9H6BrNO2 Boiling Point
Molecular Weight 240.05 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 77395-10-9 (1H-Indole-2,3-dione,5-bromo-7-methyl-) Hazard Symbols
Synonyms

Isatin,5-bromo-7-methyl- (2CI);

 

1H-Indole-2,3-dione,5-bromo-7-methyl- Specification

The 1H-Indole-2,3-dione,5-bromo-7-methyl-, with the CAS registry number 77395-10-9, is also known as 5-Bromo-7-methylisatin. It belongs to the product category of Indane/Indanone and Derivatives. This chemical's molecular formula is C9H6BrNO2 and molecular weight is 240.05. Its IUPAC name is called 5-bromo-7-methyl-1H-indole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,5-bromo-7-methyl-: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.51; (6)ACD/BCF (pH 7.4): 12.96; (7)ACD/KOC (pH 5.5): 224.36; (8)ACD/KOC (pH 7.4): 215.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 49.93 cm3; (13)Molar Volume: 140 cm3; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.714 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=CC(=C1)Br)C(=O)C(=O)N2
(2)InChI: InChI=1S/C9H6BrNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: NPRAKNSGKOICIE-UHFFFAOYSA-N

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