AG002XM7

29182-42-1 | 2-Benzothiazoleacetic acid, ethyl ester

AG002XM7

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CAS Number	29182-42-1
Catalog Number	AG002XM7(AGN-PC-0JQEP9)
Chemical Name	2-Benzothiazoleacetic acid, ethyl ester
IUPAC Name	ethyl 2-(1,3-benzothiazol-2-yl)acetate
InChI	InChI=1S/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
InChI Key	VYMJUZXFYAREJY-UHFFFAOYSA-N
MDL Number	MFCD00546397
Molecular Formula	C11H11NO2S
Molecular Weight	221.2755
NSC Number	621357
SMILES	CCOC(=O)CC1=NC2=C(S1)C=CC=C2
Synonyms	29182-42-1, ethyl 2-(benzo[d]thiazol-2-yl)acetate, Ethyl 2-(2-Benzothiazolyl)acetate, 2-(2-Benzothiazolyl)acetic Acid Ethyl Ester, ethyl 2-(1,3-benzothiazol-2-yl)acetate, Benzothiazol-2-yl-acetic acid ethyl ester, Ethyl 2-Benzothiazoleacetate, 2-BENZOTHIAZOLEACETIC ACID, ETHYL ESTER, VYMJUZXFYAREJY-UHFFFAOYSA-N, ethyl 2-(benzothiazol-2-yl)acetate, 2-Benzothiazoleaceticacid, ethyl ester, AK-79400, ETHYL 1,3-BENZOTHIAZOL-2-YLACETATE, EN300-60887, MFCD00546397, NSC621357, PubChem6352, AC1L7FCX, ethylbenzothiazole-2-acetate, ACMC-209h78, AC1Q34Q4, SCHEMBL3100413, ethyl 2-(benzothiazolyl)acetate, CHEMBL2006177, CTK4G2887, DTXSID30326902, ethyl 2-benzothiazol-2-ylacetate, ZINC1616355, ANW-26562, CE-637, SBB043138, AKOS000273512, 2-Benzothiazoleacetic Acid Ethyl Ester, AB06434, AC-9155, AN-7289, CS-W002644, Ethyl (1,3-benzothiazol-2-yl)acetate, MCULE-2438389696, NSC-621357, RP05200, TRA0063473, VZ23089, Benzothiazole-2-acetic acid ethyl ester, AJ-28299, AS-19796, BBV-41934295, CC-05405, CJ-26099, NCI60_006232, SY031986, AB0040913, AX8000519, DB-005764, ethyl 2-(1,3-benzothiazol-2-yl)ethanoate, TC-115307, FT-0638838, ST24046804, Y8581, 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL, MFCD00546397 (95%), A-2413, A819800, C-12291, 2-(1,3-benzothiazol-2-yl)acetic acid ethyl ester, I09-1590, J-520639, Z969563994, 2- ACETICACIDETHYLESTER, C11H11NO2S, CID359796, Ethyl 2-(benzothiazol-2-yl) acetate, B2168, (S)-METHYL 2-BOC-AMINO-3-IODOPROPIONATE,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.274g/mol
Monoisotopic Mass	221.051g/mol
Rotatable Bond Count	4
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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