Basic Information | Post buying leads | Suppliers |
Name |
1H-Indole-2,3-dione,4-bromo-7-methyl- |
EINECS | N/A |
CAS No. | 874375-17-4 | Density | 1.714 g/cm3 |
PSA | 46.17000 | LogP | 2.03030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6BrNO2 | Boiling Point | N/A |
Molecular Weight | 240.056 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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