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| Name |
3(2H)-Pyridazinone,6-(4-methyl-3-nitrophenyl)- |
EINECS | N/A |
| CAS No. | 58897-78-2 | Density | 1.41 g/cm3 |
| PSA | 91.57000 | LogP | 2.17670 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H9N3O3 | Boiling Point | N/A |
| Molecular Weight | 231.211 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-(4-Methyl-3-nitrophenyl)pyridazin-3(2H)-one;6-(4-Methyl-3-nitrophenyl)-3(2H)-pyridazinone; |
3(2H)-Pyridazinone,6-(4-methyl-3-nitrophenyl)- Specification
The 3(2H)-Pyridazinone,6-(4-methyl-3-nitrophenyl)- with CAS registry number of 58897-78-2 is also known as 6-(4-Methyl-3-nitrophenyl)pyridazin-3(2H)-one and 6-(4-Methyl-3-nitrophenyl)-3(2H)-pyridazinone. The systematic name is 3-(4-Methyl-3-nitro-phenyl)-1H-pyridazin-6-one. In addition, the formula is C11H9N3O3 and the molecular weight is 231.21.
Physical properties about this chemical are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 87.28Å2; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 60.57 cm3; (11)Molar Volume: 163.8 cm3; (12)Polarizability: 24.01×10-24cm3; (13)Surface Tension: 58.1 dyne/cm; (14)Density: 1.41 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: Cc1ccc(cc1[N+](=O)[O-])c2ccc(=O)[nH]n2
2. InChI: InChI=1/C11H9N3O3/c1-7-2-3-8(6-10(7)14(16)17)9-4-5-11(15)13-12-9/h2-6H,1H3,(H,13,15)
3. InChIKey: KWNYJAXBNNWFBE-UHFFFAOYAH
4. Std. InChI: InChI=1S/C11H9N3O3/c1-7-2-3-8(6-10(7)14(16)17)9-4-5-11(15)13-12-9/h2-6H,1H3,(H,13,15)
5. Std. InChIKey: KWNYJAXBNNWFBE-UHFFFAOYSA-N
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