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Cas Database |
| Name |
3(2H)-Pyridazinone,6-(3-nitrophenyl)- |
EINECS | N/A |
| CAS No. | 54558-01-9 | Density | 1.461 g/cm3 |
| PSA | 91.57000 | LogP | 1.86830 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H7N3O3 | Boiling Point | N/A |
| Molecular Weight | 217.184 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3(2H)-Pyridazinone,6-(m-nitrophenyl)- (6CI);6-(3-Nitrophenyl)-3(2H)-pyridazinone; |
Article Data | 8 |
3(2H)-Pyridazinone,6-(3-nitrophenyl)- Specification
The 3(2H)-Pyridazinone,6-(3-nitrophenyl)- with CAS registry number of 54558-01-9 is also known as 6-(3-Nitrophenyl)-3(2H)-pyridazinone. The systematic name is 6-(3-Nitrophenyl)pyridazin-3(2H)-one. In addition, the formula is C10H7N3O3 and the molecular weight is 217.18.
Physical properties about this chemical are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 58; (8)ACD/KOC (pH 7.4): 58; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 87.28Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 56.151 cm3; (15)Molar Volume: 148.656 cm3; (16)Polarizability: 22.26×10-24cm3; (17)Surface Tension: 64.635 dyne/cm; (18)Density: 1.461 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: O=C1\C=C/C(=N\N1)c2cc(ccc2)[N+]([O-])=O
2. InChI: InChI=1/C10H7N3O3/c14-10-5-4-9(11-12-10)7-2-1-3-8(6-7)13(15)16/h1-6H,(H,12,14)
3. InChIKey: AFTJTAIZFQQYIN-UHFFFAOYAK
4. Std. InChI: InChI=1S/C10H7N3O3/c14-10-5-4-9(11-12-10)7-2-1-3-8(6-7)13(15)16/h1-6H,(H,12,14)
5. Std. InChIKey: AFTJTAIZFQQYIN-UHFFFAOYSA-N
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