CAS No.892549-43-8,Mf-63 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	892549-43-8
Name:	Mf-63

Formula:	C₂₃H₁₁ClN₄
Molecular Weight:	378.81
Synonyms:	2-(9-Chloro-1H-phenanthro[9, 10-d]imidazol-2-yl)benzene-1, 3-dicarbonitrile;
Density:	1.49 g/cm³
Boiling Point:	709.7 °C at 760 mmHg
Flash Point:	383 °C
PSA:	76.26000
LogP:	5.93306

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Specification

The Mf-63, has the CAS registry number of 892549-43-8. This chemical's molecular formula is C₂₃H₁₁ClN₄. What's more, its systematic name is 2-(9-Chloro-1H-phenanthro[9, 10-d]imidazol-2-yl)benzene-1, 3-dicarbonitrile.

Physical properties about Mf-63 are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1417.01; (6)ACD/BCF (pH 7.4): 1392; (7)ACD/KOC (pH 5.5): 6270.31; (8)ACD/KOC (pH 7.4): 6159.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.4 Å²; (13)Index of Refraction: 1.815; (14)Molar Refractivity: 109.81 cm³; (15)Molar Volume: 253.2 cm³; (16)Polarizability: 43.53×10^-24 cm³; (17)Surface Tension: 90.7 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 383 °C; (20)Enthalpy of Vaporization: 103.79 kJ/mol; (21)Boiling Point: 709.7 °C at 760 mmHg; (22)Vapour Pressure: 5.45E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cccc(C#N)c1c4nc3c2ccccc2c5c(c3n4)ccc(Cl)c5
(2) InChI: InChI=1/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
(3) InChIKey: BVFLHOOKHPFDCT-UHFFFAOYAT