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105538-07-6

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Basic Information
CAS No.: 105538-07-6
Name: 3-AMINO-6-(4-FLUOROPHENYL)PYRIDAZINE
Article Data: 7
Molecular Structure:
Molecular Structure of 105538-07-6 (3-AMINO-6-(4-FLUOROPHENYL)PYRIDAZINE)
Formula: C10H8FN3
Molecular Weight: 189.192
Synonyms: 6-(4-Fluorophenyl)-3-pyridazinamine;3-Amino-6-(4-fluorophenyl)pyridazine;6-(4-Fluorophenyl)pyridazin-3-amine;
Density: 1.281 g/cm3
Melting Point: 165-168 °C
Boiling Point: 398.024 °C at 760 mmHg
Flash Point: 194.518 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
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PSA: 51.80000
LogP: 2.44610
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Specification

The 3-Pyridazinamine,6-(4-fluorophenyl)-, with the CAS registry number 105538-07-6, is also known as 6-(4-Fluorophenyl)-3-pyridazinamine. This chemical's molecular formula is C10H8FN3 and molecular weight is 189.19. What's more, its systematic name is 6-(4-Fluorophenyl)pyridazin-3-amine. 

Physical properties of 3-Pyridazinamine,6-(4-fluorophenyl)- are: (1)ACD/LogP: 1.66; (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): 5; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 102; (8)ACD/KOC (pH 7.4): 130; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 51.257 cm3; (15)Molar Volume: 147.656 cm3; (16)Polarizability: 20.32×10-24 cm3; (17)Surface Tension: 54.88 dyne/cm; (18)Density: 1.281 g/cm3; (19)Flash Point: 194.518 °C; (20)Enthalpy of Vaporization: 64.855 kJ/mol; (21)Boiling Point: 398.024 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc2ccc(c1nnc(cc1)N)cc2
(2)InChI: InChI=1/C10H8FN3/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H,(H2,12,14)
(3)InChIKey: PXHAHXRMFFNTGI-UHFFFAOYAP