CAS No.1917-44-8,1,3,5-Triazin-2(1H)-one, 4,6-diphenyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1917-44-8
Name:	1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
Article Data:	6

Formula:	C₁₅H₁₁N₃O
Molecular Weight:	249.272
Synonyms:	s-Triazin-2(1H)-one,4,6-diphenyl- (6CI,7CI,8CI);2,4-Diphenyl-6-hydroxy-s-triazine;2-Hydroxy-4,6-diphenyl-s-triazine;NSC 288740;4,6-Diphenyl-1,3,5-triazin-2(5H)-one;
Density:	1.24 g/cm³
Melting Point:	294-295℃
Boiling Point:	391.1 °C at 760 mmHg
Flash Point:	190.4 °C
PSA:	58.90000
LogP:	2.91120

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Specification

The 1,3,5-Triazin-2(1H)-one,4,6-diphenyl-, with the CAS registry number 1917-44-8, is also known as 2,4-Diphenyl-6-hydroxy-s-triazine. This chemical's molecular formula is C₁₅H₁₁N₃O and molecular weight is 249.27. What's more, its systematic name is 4,6-Diphenyl-1,3,5-triazin-2(5H)-one.

Physical properties of 1,3,5-Triazin-2(1H)-one,4,6-diphenyl- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 2.22; (7)ACD/KOC (pH 5.5): 165.77; (8)ACD/KOC (pH 7.4): 40.92; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.03 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 74.04 cm³; (15)Molar Volume: 199.9 cm³; (16)Polarizability: 29.35×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 190.4 °C; (20)Enthalpy of Vaporization: 64.07 kJ/mol; (21)Boiling Point: 391.1 °C at 760 mmHg; (22)Vapour Pressure: 2.52E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC(=O)N=C(N2)C3=CC=CC=C3
(2)InChI: InChI=1S/C15H11N3O/c19-15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17,18,19)
(3)InChIKey: KODLDJGSBFMSDG-UHFFFAOYSA-N