AG000FZ8

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CAS Number	115416-49-4
Catalog Number	AG000FZ8(AGN-PC-0KMOBR)
Chemical Name	3-((4-Nitro-2-(trifluoromethyl)phenyl)amino)propan-1-ol
IUPAC Name	3-[4-nitro-2-(trifluoromethyl)anilino]propan-1-ol
InChI	InChI=1S/C10H11F3N2O3/c11-10(12,13)8-6-7(15(17)18)2-3-9(8)14-4-1-5-16/h2-3,6,14,16H,1,4-5H2
InChI Key	KLTFJGOLYNHARU-UHFFFAOYSA-N
MDL Number	MFCD01436011
Molecular Formula	C10H11F3N2O3
Molecular Weight	264.2011
SMILES	C1(=C(NCCCO)C=CC(=C1)[N+](=O)[O-])C(F)(F)F
Synonyms	115416-49-4, 3-[4-nitro-2-(trifluoromethyl)anilino]propan-1-ol, 3-{[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]AMINO}PROPAN-1-OL, 3-{[4-nitro-2-(trifluoromethyl)phenyl]amino}-1-propanol, 3-((4-Nitro-2-(trifluoromethyl)phenyl)amino)propan-1-ol, AC1MFB2D, MLS000665427, CHEMBL1304834, CTK4A9324, DTXSID40387802, CHEMBRDG-BB 6870735, HMS2565J03, ZINC4819116, MFCD01436011, AKOS010150457, MCULE-4022363099, AJ-52371, SMR000270659, W-8280, AB00121817-01, SR-01000245082, SR-01000245082-1, 1-Propanol, 3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-, ZINC04819116, CID2916505,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.072g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.204g/mol
Monoisotopic Mass	264.072g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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