Products Categories
| CAS No.: | 112656-95-8 |
|---|---|
| Name: | 7-NITROISATIN |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4N2O4 |
| Molecular Weight: | 192.131 |
| Synonyms: | Isatin,7-nitro- (6CI);7-Nitro-1H-indole-2,3-dione; |
| Density: | 1.609 g/cm3 |
| Melting Point: | 240 °C |
| PSA: | 91.99000 |
| LogP: | 1.39080 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
What can I do for you?
Get Best Price
Specification
The 1H-Indole-2, 3-dione, 7-nitro-, with the CAS registry number of 112656-95-8, is also known as 7-Nitroisatin. This chemical's molecular formula is C8H4N2O4 and molecular weight is 192.13. What's more, its systematic name is 7-Nitro-1H-indole-2, 3-dione.
Physical properties about 1H-Indole-2, 3-dione, 7-nitro- are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.42; (6)ACD/BCF (pH 7.4): 1.93; (7)ACD/KOC (pH 5.5): 65.5; (8)ACD/KOC (pH 7.4): 52.23; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 83.2 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 43.97 cm3; (15)Molar Volume: 119.3 cm3; (16)Surface Tension: 72.2 dyne/cm; (17)Density: 1.609 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc2c1NC(=O)C2=O
(2) InChI: InChI=1/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)9-8(7)12/h1-3H,(H,9,11,12)
(3) InChIKey: GVZRFFXBGZSJTH-UHFFFAOYAC