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CAS No.: | 67303-38-2 |
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Name: | 4-Bromo-7-methoxyisatin |
Molecular Structure: | |
Formula: | C9H6BrNO3 |
Molecular Weight: | 256.056 |
Synonyms: | 4-Bromo-7-methoxyisatin; |
Density: | 1.733 g/cm3 |
PSA: | 55.40000 |
LogP: | 1.73050 |
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The 1H-Indole-2,3-dione,4-bromo-7-methoxy-, with the CAS registry number 67303-38-2, is also known as 4-Bromo-7-methoxyisatin. This chemical's molecular formula is C9H6BrNO3 and molecular weight is 256.0528. Its systematic name is called 4-bromo-7-methoxy-indoline-2,3-dione.
Physical properties of 1H-Indole-2,3-dione,4-bromo-7-methoxy-: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.47; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 51.79 cm3; (9)Molar Volume: 147.7 cm3; (10)Surface Tension: 54.1 dyne/cm; (11)Density: 1.733 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c2c1NC(=O)C2=O)Br
(2)InChI: InChI=1/C9H6BrNO3/c1-14-5-3-2-4(10)6-7(5)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: UPLXITZBWUCNFA-UHFFFAOYAZ