Chemical Name: Nizofenone
Molecular Formula: C21H21ClN4O3
Molecular Weight: 412.9
InChI Key: WZGBZLHGOVJDET-UHFFFAOYSA-N
InChI: InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

FW:	412.869
MF:	C21H21ClN4O3
Refractive_Index:	1.623
More_Info:	['1. Appearance 从异丙醚得淡Yellow 结晶。 ', '2. Melting point75-76℃。']
Vapor_Pressure:	0.0±1.7 mmHg at 25°C
Bolling_Point:	609.7±65.0 °C at 760 mmHg
Exact_Mass:	412.130219
PSA:	83.95000
Computational_Chemistry:	['1. XlogP :41 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 84 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :569 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1 . Molar refractive index 10180 ', '2 . Molar volume 2616 ', '3 . Parachor （902K）7292 ', '4 . Surface tension 603 ', '5 . Polarizability 4035']
LogP:	4.25
Flash_Point:	322.5±34.3 °C
Density:	1.3±0.1 g/cm3