EMITEFUR

Catalog No: FT-0631052

CAS No: 110690-43-2

Chemical Name: EMITEFUR
Molecular Formula: C28H19FN4O8
Molecular Weight: 558.5
InChI Key: WTSKMKRYHATLLL-UHFFFAOYSA-N
InChI: InChI=1S/C28H19FN4O8/c1-2-39-16-32-15-21(29)25(35)33(28(32)38)24(34)18-9-6-10-19(13-18)27(37)41-23-20(14-30)11-12-22(31-23)40-26(36)17-7-4-3-5-8-17/h3-13,15H,2,16H2,1H3

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

Product_Name:	(6-benzoyloxy-3-cyanopyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
Flash_Point:	410.5ºC
Melting_Point:	N/A
FW:	558.47100
Density:	1.52 g/cm3
CAS:	110690-43-2
Bolling_Point:	755.1ºC at 760 mmHg
MF:	C28H19FN4O8

Molecular_Structure:	['1 . Molar refractive index 13616 ', '2 . Molar volume 3673 ', '3 . Parachor （902K）10946 ', '4 . Surface tension 788 ', '5 . Polarizability 5397']
LogP:	2.53668
Flash_Point:	410.5ºC
Refractive_Index:	1.663
FW:	558.47100
Density:	1.52 g/cm3
Bolling_Point:	755.1ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :11 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 156 ', '7. Heavy Atom Count :41 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1110 ', '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']
PSA:	159.58000
MF:	C28H19FN4O8
More_Info:	['1. Melting point162～164℃。']
Vapor_Pressure:	1.09E-22mmHg at 25°C
Exact_Mass:	558.11900