AG003QAH

596794-91-1 | Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

AG003QAH

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CAS Number	596794-91-1
Catalog Number	AG003QAH(AGN-PC-0BTTX9)
Chemical Name	Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
IUPAC Name	ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
InChI	InChI=1S/C9H7ClN2O2S/c1-2-14-9(13)6-3-5-7(10)11-4-12-8(5)15-6/h3-4H,2H2,1H3
InChI Key	IKUNLTCFOLEPBG-UHFFFAOYSA-N
MDL Number	MFCD02257738
Molecular Formula	C9H7ClN2O2S
Molecular Weight	242.6821
SMILES	Clc1c2c(sc(c2)C(=O)OCC)ncn1
Synonyms	Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate, 596794-91-1, AK141811, Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester, SCHEMBL5429822, DTXSID30726403, IKUNLTCFOLEPBG-UHFFFAOYSA-N, MFCD02257738, ZINC95080508, AB11651, DS-7327, TRA0073474, AJ-132071, AX8281946, ethyl4-chlorothieno[2,3-d]pyrimidine -6-carboxylate, Ethyl 4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate, ETHYL4-CHLOROTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.992g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.677g/mol
Monoisotopic Mass	241.992g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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