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CAS No.: | 1147-64-4 |
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Name: | 4-(4,5-DICHLORO-6-OXOPYRIDAZIN-1(6H)-YL)BENZOIC ACID |
Molecular Structure: | |
Formula: | C11H6Cl2N2O3 |
Molecular Weight: | 285.086 |
Synonyms: | Benzoicacid, p-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)- (7CI,8CI); |
Density: | 1.59 g/cm3 |
Boiling Point: | 434.7 °C at 760 mmHg |
Flash Point: | 216.7 °C |
PSA: | 72.19000 |
LogP: | 2.23750 |
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This chemical is called Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, and its CAS registry number is 1147-64-4. With the molecular formula of C11H6Cl2N2O3, its molecular weight is 285.08.
Other characteristics of the Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)- can be summarised as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.31; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 58.97 Å2; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 66.9 cm3; (14)Molar Volume: 178.6 cm3; (15)Polarizability: 26.52×10-24cm3; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.59 g/cm3; (18)Flash Point: 216.7 °C; (19)Enthalpy of Vaporization: 72.82 kJ/mol; (20)Boiling Point: 434.7 °C at 760 mmHg; (21)Vapour Pressure: 2.51E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccc(N1/N=C\C(\Cl)=C(\Cl)C1=O)cc2
2.InChI: InChI=1/C11H6Cl2N2O3/c12-8-5-14-15(10(16)9(8)13)7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18)
3.InChIKey: PAXANYFYBRBZOE-UHFFFAOYAF