AG00H2TG

875515-76-7 | 4-Chlorothieno[3,2-d]pyrimidine-6-carboxylic acid

AG00H2TG

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CAS Number	875515-76-7
Catalog Number	AG00H2TG(AGN-PC-03R45X)
Chemical Name	4-Chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
IUPAC Name	4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
InChI	InChI=1S/C7H3ClN2O2S/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12/h1-2H,(H,11,12)
InChI Key	APAYWGOJUNTPCI-UHFFFAOYSA-N
MDL Number	MFCD11846188
Molecular Formula	C7H3ClN2O2S
Molecular Weight	214.6289
SMILES	O=C(C1=CC2=NC=NC(Cl)=C2S1)O
Synonyms	4-Chlorothieno[3,2-d]pyrimidine-6-carboxylic acid, 875515-76-7, ACMC-209qoc, SCHEMBL13166633, CTK7I7429, KS-00000PLQ, DTXSID40626824, APAYWGOJUNTPCI-UHFFFAOYSA-N, ANW-38842, MFCD11846188, SC2471, ZINC44136820, AKOS015850434, CS-W006123, FCH1406240, OR53050, PB31598, QC-5851, RP08937, AK-77895, AS-54622, BR-77895, AJ-109315, AX8224386, DB-077005, TR-039723, FT-0685748, ST24023518, W8981, S-7496, 4-chloro-Thieno[3,2-d]pyrimidine-6-carboxylic acid, J-515211, C7H3ClN2O2S, 4-Chlorothieno[3,2-d]pyrimidine-6-carboxylicacid,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.96g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.623g/mol
Monoisotopic Mass	213.96g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	91.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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