AG00HHQH

1246223-44-8 | methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate

AG00HHQH

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CAS Number	1246223-44-8
Catalog Number	AG00HHQH(AGN-PC-0WCKPV)
Chemical Name	methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate
IUPAC Name	methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate
InChI	InChI=1S/C8H5ClN2O2S/c1-13-8(12)4-2-14-6-5(4)10-3-11-7(6)9/h2-3H,1H3
InChI Key	FIRXDNARXSAIRC-UHFFFAOYSA-N
MDL Number	MFCD20487840
Molecular Formula	C8H5ClN2O2S
Molecular Weight	228.6555
SMILES	O=C(C1=CSC2=C(Cl)N=CN=C21)OC
Synonyms	METHYL 4-CHLOROTHIENO[3,2-D]PYRIMIDINE-7-CARBOXYLATE, 1246223-44-8, Methyl 4-chlorothieno[3,2-d]-pyrimidine-7-carboxylate, SCHEMBL1492031, FIRXDNARXSAIRC-UHFFFAOYSA-N, MFCD20487840, ZINC95707445, AKOS025396120, FCH1565865, PB16877, KS-000006L9, AK173694, AS-43114, CS-0049037, Q-3101,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.976g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.65g/mol
Monoisotopic Mass	227.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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