CAS No.112559-81-6,4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112559-81-6
Name:	4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol
Article Data:	11

Formula:	C₁₆H₁₇N₃O₃
Molecular Weight:	299.329
Synonyms:	4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol;
EINECS:	601-189-8
Density:	1.317 g/cm³
Boiling Point:	540.833 °C at 760 mmHg
Flash Point:	280.886 °C
Appearance:	white like or light brown crystalline powder
PSA:	72.53000
LogP:	3.28020

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Specification

The 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol is a kind of heterocyclic compounds. Its cas registry number is 112559-81-6. This chemical is also known as Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]- . Its systematic name is called 4-[4-(4-Nitrophenyl)piperazin-1-yl]phenol.

Physical properties about this chemical are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 45.37; (6)ACD/BCF (pH 7.4): 121.01; (7)ACD/KOC (pH 5.5): 401.41; (8)ACD/KOC (pH 7.4): 1070.61; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 82.89 cm³; (14)Molar Volume: 227.2 cm³; (15)Surface Tension: 60.3 dyne/cm; (16)Density: 1.317 g/cm³; (17)Flash Point: 280.9 °C; (18)Enthalpy of Vaporization: 84.92 kJ/mol; (19)Boiling Point: 540.8 °C at 760 mmHg; (20)Vapour Pressure: 2.61E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H17N3O3/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12H2;
(2)InChIKey: BNHYDULILNJFFY-UHFFFAOYAH