AG00DKM3

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CAS Number	54672-11-6
Catalog Number	AG00DKM3(AGN-PC-0JTSMQ)
Chemical Name	2-Morpholino-5-nitrobenzotrifluoride
IUPAC Name	4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine
InChI	InChI=1S/C11H11F3N2O3/c12-11(13,14)9-7-8(16(17)18)1-2-10(9)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChI Key	INQHSXGCAZQBBH-UHFFFAOYSA-N
MDL Number	MFCD00100093
Molecular Formula	C11H11F3N2O3
Molecular Weight	276.2118
SMILES	FC(C1=CC([N+]([O-])=O)=CC=C1N2CCOCC2)(F)F
Synonyms	54672-11-6, 4-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine, 4-(4-Nitro-2-(trifluoromethyl)phenyl)morpholine, 2-Morpholino-5-nitrobenzotrifluoride, INQHSXGCAZQBBH-UHFFFAOYSA-N, 4-(4-Nitro-2-trifluoromethyl-phenyl)-morpholine, BAS 03718525, AC1LD6EF, SCHEMBL3212217, DTXSID90346505, ALBB-024056, ZINC4004500, MFCD00100093, SBB006418, STK147722, AKOS000427489, MCULE-5178768174, KS-00001Y47, AJ-47640, ST049194, V6549, K-9843, 4-[4-Nitro-2-(trifluoromethyl)phenyl]-morpholine, 5Y-0055, Morpholine, 4-[4-nitro-2-(trifluoromethyl)phenyl]-, A0741/0034615, C11H11F3N2O3, CID612856,

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.072g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.215g/mol
Monoisotopic Mass	276.072g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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