AG01DLC1

Name: ETHYL 4-(3,3,3-TRIFLUOROPROP-1-YN-1-YL)BENZOATE
Brand: Angene Chemical
SKU: AG01DLC1

573979-96-1 | ETHYL 4-(3,3,3-TRIFLUOROPROP-1-YN-1-YL)BENZOATE

AG01DLC1

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CAS Number	573979-96-1
Catalog Number	AG01DLC1(AGN-PC-005KW2)
Chemical Name	ETHYL 4-(3,3,3-TRIFLUOROPROP-1-YN-1-YL)BENZOATE
IUPAC Name	ethyl 4-(3,3,3-trifluoroprop-1-ynyl)benzoate
InChI	InChI=1S/C12H9F3O2/c1-2-17-11(16)10-5-3-9(4-6-10)7-8-12(13,14)15/h3-6H,2H2,1H3
InChI Key	CBJSUSSAXSRUCX-UHFFFAOYSA-N
MDL Number	MFCD16616309
Molecular Formula	C12H9F3O2
Molecular Weight	242.1939
SMILES	CCOC(=O)c1ccc(cc1)C#CC(F)(F)F
Synonyms	573979-96-1, ETHYL 4-(3,3,3-TRIFLUOROPROP-1-YN-1-YL)BENZOATE, ethyl 4-trifluoroprop-1-ynylbenzoate, SCHEMBL4001178, CTK1F2139, DTXSID90460553, CBJSUSSAXSRUCX-UHFFFAOYSA-N, AKOS027332537, 4-(3,3,3-Trifluoro-1-propynyl)benzoic acid ethyl ester, Benzoic acid, 4-(3,3,3-trifluoro-1-propynyl)-, ethyl ester, CID11264994, Ethyl 4-(3,3,3-trifluoroprop-1-ynyl)benzoate,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.055g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.197g/mol
Monoisotopic Mass	242.055g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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