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CAS No.: | 90766-97-5 |
---|---|
Name: | 5-BROMO-6-PHENYL-3(2H)-PYRIDAZINONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H7BrN2O |
Molecular Weight: | 251.082 |
Synonyms: | 5-BROMO-6-PHENYL-3(2H)-PYRIDAZINONE;5-Bromo-6-phenyl-2H-pyridazin-3-one;5-Bromo-6-phenylpyridazin-3(2H)-one |
Density: | 1.61 g/cm3 |
Melting Point: | 234-237 °C |
Hazard Symbols: | Xi |
PSA: | 45.75000 |
LogP: | 2.19940 |
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This chemical is called 3(2H)-Pyridazinone, 5-bromo-6-phenyl-, and its systematic name is 5-bromo-6-phenylpyridazin-3(2H)-one. With the molecular formula of C10H7BrN2O, its molecular weight is 251.08. The CAS registry number of this chemical is 90766-97-5.
Other characteristics of the 3(2H)-Pyridazinone, 5-bromo-6-phenyl- can be summarised as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.13; (6)ACD/BCF (pH 7.4): 6.09; (7)ACD/KOC (pH 5.5): 127.39; (8)ACD/KOC (pH 7.4): 126.68; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 58.04 cm3; (15)Molar Volume: 155.7 cm3; (16)Polarizability: 23.01×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.61 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: BrC=1\C(=N/NC(=O)C=1)\c2ccccc2
2.InChI: InChI=1/C10H7BrN2O/c11-8-6-9(14)12-13-10(8)7-4-2-1-3-5-7/h1-6H,(H,12,14)
3.InChIKey: YMKYEOKAMFRYQC-UHFFFAOYAD