AG007I4F

319442-18-7 | Ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate

AG007I4F

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CAS Number	319442-18-7
Catalog Number	AG007I4F(AGN-PC-03UNDK)
Chemical Name	Ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate
IUPAC Name	ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate
InChI	InChI=1S/C9H7ClN2O2S/c1-2-14-9(13)8-11-5-3-4-15-6(5)7(10)12-8/h3-4H,2H2,1H3
InChI Key	YBFVHUWXKQPWSX-UHFFFAOYSA-N
MDL Number	MFCD13195323
Molecular Formula	C9H7ClN2O2S
Molecular Weight	242.6821
SMILES	ClC1=NC(=NC2=C1SC=C2)C(=O)OCC
Synonyms	Ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate, 319442-18-7, AK-30828, SCHEMBL163775, CTK8B5624, KS-00000PCD, DTXSID00627514, YBFVHUWXKQPWSX-UHFFFAOYSA-N, ANW-49355, MFCD13195323, ZINC72187488, AKOS015919881, QC-5866, RP28542, BR-30828, DS-11458, AB0024169, AJ-119105, AX8220438, TC-138100, 4CH-011058, CS-0091649, ST24024946, W5379, S-6940, J-521003, C9H7ClN2O2S, Ethyl4-chlorothieno[3,2-d]pyrimidine-2-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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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