3(2H)-Pyridazinone, 5-bromo-6-phenyl- supplier

Name
5-BROMO-6-PHENYL-3(2H)-PYRIDAZINONE
EINECS
CAS No. 90766-97-5
Article Data5
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point 234-237 °C
Formula C₁₀H₇BrN₂O
Boiling Point
Molecular Weight 251.082
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-BROMO-6-PHENYL-3(2H)-PYRIDAZINONE;5-Bromo-6-phenyl-2H-pyridazin-3-one;5-Bromo-6-phenylpyridazin-3(2H)-one
PSA 45.75000
LogP 2.19940

3(2H)-Pyridazinone, 5-bromo-6-phenyl- Specification

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

Product Name

5-BROMO-6-PHENYL-3(2H)-PYRIDAZINONE

3(2H)-Pyridazinone, 5-bromo-6-phenyl- Specification

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