AG00ECFR

Name: THS-044
Brand: Angene Chemical
SKU: AG00ECFR

62054-67-5 | THS-044

AG00ECFR

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WARNING This product is not for human or veterinary use.

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CAS Number	62054-67-5
Catalog Number	AG00ECFR(AGN-PC-0NIIWQ)
Chemical Name	THS-044
IUPAC Name	N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
InChI	InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
InChI Key	XUPDNGHJBHPAKD-UHFFFAOYSA-N
MDL Number	MFCD29472287
Molecular Formula	C11H12F3N3O3
Molecular Weight	291.2265
SMILES	N1(NC2=CC=C(C(F)(F)F)C=C2[N+]([O-])=O)CCOCC1
Synonyms	THS-044, 62054-67-5, N-[2-Nitro-4-(Trifluoromethyl)phenyl]morpholin-4-Amine, N-Morpholino-2-nitro-4-(trifluoromethyl)aniline, SCHEMBL15717137, ZINC58632730, AKOS017262051, CS-5318, HY-19621, 2XY,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.083g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.23g/mol
Monoisotopic Mass	291.083g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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