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  2. 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxido-N-(trideuteriomethyl)pyridin-1-ium-2-carboxamide

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxido-N-(trideuteriomethyl)pyridin-1-ium-2-carboxamide

CNC(=O)c1cc(cc[n+]1[O-])Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl Request for Quotation
Chemical Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxido-N-(trideuteriomethyl)pyridin-1-ium-2-carboxamide
CAS Number: 583840-03-3
Product Number: AG00EEL6(AGN-PC-00HB7V)
Synonyms:
MDL No:
Molecular Formula: C21H16ClF3N4O4
Molecular Weight: 480.8243496

Identification/Properties

Properties
MP:
>194ºC (dec.)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
480.828g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
480.081g/mol
Monoisotopic Mass:
480.081g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
678
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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