AG009CCH

Name: JW 642
Brand: Angene Chemical
SKU: AG009CCH

1416133-89-5 | JW 642

AG009CCH

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CAS Number	1416133-89-5
Catalog Number	AG009CCH(AGN-PC-0WNXFT)
Chemical Name	JW 642
IUPAC Name	1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate
InChI	InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChI Key	AVSCNEOUWSVZEY-UHFFFAOYSA-N
MDL Number	MFCD22987956
Molecular Formula	C21H20F6N2O3
Molecular Weight	462.3855
SMILES	O=C(N1CCN(CC2=CC(OC3=CC=CC=C3)=CC=C2)CC1)OC(C(F)(F)F)C(F)(F)F
Synonyms	JW 642, 1416133-89-5, 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate, AVSCNEOUWSVZEY-UHFFFAOYSA-N, CHEMBL3356976, SCHEMBL15100992, BDBM179950, 3755AH, ZINC95705051, AKOS024458410, CS-3342, US9133148, 3a, NCGC00379230-01, HY-12332, 4-[(3-Phenoxyphenyl)methyl]-1-piperazinecarboxylic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester, C21H20F6N2O3, A13774,

Complexity	587
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	462.138g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	462.392g/mol
Monoisotopic Mass	462.138g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited