AG00HALE

Name: Ethyl 5-cyano-1-benzothiophene-2-carboxylate
Brand: Angene Chemical
SKU: AG00HALE

105191-14-8 | Ethyl 5-cyano-1-benzothiophene-2-carboxylate

AG00HALE

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CAS Number	105191-14-8
Catalog Number	AG00HALE(AGN-PC-0N9YNF)
Chemical Name	Ethyl 5-cyano-1-benzothiophene-2-carboxylate
IUPAC Name	ethyl 5-cyano-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C12H9NO2S/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6H,2H2,1H3
InChI Key	KURMBVGYOCYEDO-UHFFFAOYSA-N
MDL Number	MFCD13180921
Molecular Formula	C12H9NO2S
Molecular Weight	231.2704
SMILES	C(#N)C=1C=CC2=C(C=C(S2)C(=O)OCC)C1
Synonyms	105191-14-8, Ethyl 5-cyano-1-benzothiophene-2-carboxylate, benzo[b]thiophene-2-carboxylic acid,5-cyano-,ethyl ester, Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester, SCHEMBL7385021, ZINC34432293, AKOS022657817, ethyl 5-cyanobenzo[b]thiophene-2-carboxylate, CID10751986, Ethyl 5-cyanobenzothiophene-2-carboxylate,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.035g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.269g/mol
Monoisotopic Mass	231.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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