AG01E66X

Name: TC-I2014
Brand: Angene Chemical
SKU: AG01E66X

1221349-53-6 | TC-I2014

AG01E66X

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CAS Number	1221349-53-6
Catalog Number	AG01E66X(AGN-PC-0WAJ8Q)
Chemical Name	TC-I2014
IUPAC Name	3-[4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
InChI	InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
InChI Key	VSMFCZZEKTVDHM-UHFFFAOYSA-N
MDL Number	MFCD30182291
Molecular Formula	C23H19F6N3O
Molecular Weight	467.4069
SMILES	FC(F)(F)C1=C(C=CC=C1)C2=CC(C(F)(F)F)=C3NC(C4=NOC5(C4)CCCCC5)=NC3=C2
Synonyms	CHEMBL1650511, 1221349-53-6, 3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene, SCHEMBL2359455, VSMFCZZEKTVDHM-UHFFFAOYSA-N, TC-I2014, BDBM50335157, TC-I 2014, ZINC66100415, AKOS025147362, NCGC00387489-01, 3-[7-(Trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene,

Complexity	748
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	467.143g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	467.415g/mol
Monoisotopic Mass	467.143g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.7

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