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| CAS No.: | 874375-17-4 |
|---|---|
| Name: | 4-BROMO-7-METHYLISATIN |
| Molecular Structure: | |
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| Formula: | C9H6BrNO2 |
| Molecular Weight: | 240.056 |
| Synonyms: | 4-Bromo-7-methyl-indoline-2,3-dione;4-Bromo-7-methyl-1H-indole-2,3-dione;4-Bromo-7-methylisatin;4-Bromo-7-methyl-1H-benzo[d]azoline-2,3-dione;SBB065640;ZINC16123540;TL8005688; |
| Density: | 1.714 g/cm3 |
| PSA: | 46.17000 |
| LogP: | 2.03030 |
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- Total:37 Page 1 of 1 1
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Specification
The 1H-Indole-2,3-dione,4-bromo-7-methyl- with CAS registry number of 874375-17-4 is also known as 4-Bromo-7-methyl-indoline-2,3-dione. The IUPAC name is 4-Bromo-7-methyl-1H-indole-2,3-dione. It belongs to product categories of Isatin Series; Indane/Indanone and Derivatives. In addition, the formula is C9H6BrNO2 and the molecular weight is 240.05.
Physical properties about 1H-Indole-2,3-dione,4-bromo-7-methyl- are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.79; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)Polar Surface Area: 46.17Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 49.93 cm3; (9)Molar Volume: 140 cm3; (10)Polarizability: 19.79×10-24cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.714 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: Cc2ccc(Br)c1c2NC(=O)C1=O
2. InChI: InChI=1/C9H6BrNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
3. InChIKey: VYPAAYCDBZXFOI-UHFFFAOYAW
4. Std. InChI: InChI=1S/C9H6BrNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
5. Std. InChIKey: VYPAAYCDBZXFOI-UHFFFAOYSA-N