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1-(2,4,6-Trichlorophenyl)-3-(3-aminobenzamido)-5-pyrazolone

Catalog No: FT-0639651

CAS No: 40567-18-8

Chemical Name: 1-(2,4,6-Trichlorophenyl)-3-(3-aminobenzamido)-5-pyrazolone
Molecular Formula: C16H11Cl3N4O2
Molecular Weight: 397.6
InChI Key: FFSCMMOUQKDVKY-UHFFFAOYSA-N
InChI: InChI=1S/C16H11Cl3N4O2/c17-9-5-11(18)15(12(19)6-9)23-14(24)7-13(22-23)21-16(25)8-2-1-3-10(20)4-8/h1-6H,7,20H2,(H,21,22,25)

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

Melting_Point:	N/A
CAS:	40567-18-8
MF:	C16H11Cl3N4O2
Flash_Point:	N/A
Product_Name:	3-Amino-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzamide
Density:	1.62 g/cm3
FW:	397.64300
Bolling_Point:	N/A

Refractive_Index:	1.735
MF:	C16H11Cl3N4O2
Exact_Mass:	395.99500
LogP:	4.18190
FW:	397.64300
Density:	1.62 g/cm3
PSA:	87.79000
Computational_Chemistry:	['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :8 ', '6. TPSA 878 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :562 ', '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']