AG009229

103261-70-7 | 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)

AG009229

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CAS Number	103261-70-7
Catalog Number	AG009229(AGN-PC-0N7GDT)
Chemical Name	5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)
IUPAC Name	ethyl 1,3-benzothiazole-5-carboxylate
InChI	InChI=1S/C10H9NO2S/c1-2-13-10(12)7-3-4-9-8(5-7)11-6-14-9/h3-6H,2H2,1H3
InChI Key	ZSBYCGYHRQGYNA-UHFFFAOYSA-N
MDL Number	MFCD13176733
Molecular Formula	C10H9NO2S
Molecular Weight	207.2490
SMILES	O=C(C1=CC=C(SC=N2)C2=C1)OCC
Synonyms	Ethyl benzo[d]thiazole-5-carboxylate, 103261-70-7, Ethyl Benzothiazole-5-carboxylate, SCHEMBL260218, CTK8B4996, KS-00000PQJ, DTXSID70442418, ANW-46974, MFCD13176733, ZINC39075610, AKOS015998719, ethyl 1,3-benzothiazole-5-carboxylate, 5-benzothiazolecarboxylic acid ethyl ester, AC-25107, AJ-97988, AK-80595, DS-16003, SY041196, 5-Benzothiazolecarboxylic acid, ethyl ester, TC-135719, 4CH-011451, CS-0043001, ST24025060, X8653, MFCD13176733 (95%), C10H9NO2S, CID10608408, 5-Benzothiazolecarboxylic acid, ethyl ester (6CI,9CI),

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.247g/mol
Monoisotopic Mass	207.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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