AG00BZR7

32137-76-1 | Ethyl 1,3-benzothiazole-2-carboxylate

AG00BZR7

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CAS Number	32137-76-1
Catalog Number	AG00BZR7(AGN-PC-0JU7EF)
Chemical Name	Ethyl 1,3-benzothiazole-2-carboxylate
IUPAC Name	ethyl 1,3-benzothiazole-2-carboxylate
InChI	InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
InChI Key	VLQLCEXNNGQELL-UHFFFAOYSA-N
MDL Number	MFCD00848360
Molecular Formula	C10H9NO2S
Molecular Weight	207.2490
SMILES	C1=CC=CC2=C1SC(=N2)C(OCC)=O
Synonyms	ethyl 1,3-benzothiazole-2-carboxylate, 32137-76-1, ethyl benzo[d]thiazole-2-carboxylate, Ethyl benzothiazole-2-carboxylate, Benzothiazole-2-carboxylic acid ethyl ester, 2-benzothiazolecarboxylic acid, ethyl ester, ethyl 2-benzothiazolecarboxylate, MFCD00848360, Ethyl1,3-benzothiazole-2-carboxylate, zlchem 880, PubChem23783, ACMC-209hra, AC1LD1AO, ChemDiv3_001827, KSC490C5N, MLS000113101, SCHEMBL211598, AC1Q34E2, CHEMBL1558989, CTK3J0156, DTXSID00348792, ZLD0341, VLQLCEXNNGQELL-UHFFFAOYSA-N, HMS1478D01, HMS2185O09, ZINC128851, ACT02319, ALBB-024024, KS-00000G5I, ANW-27284, BBL002146, CE-728, SBB093878, STK149500, AKOS001258147, benzothiazolecarboxylic acid ethyl ester, CS-W015265, MCULE-5184178908, QC-9069, RP04616, RTR-013561, TRA0066368, Ethyl benzothiazole-2-carboxylate, 97%, IDI1_020793, AJ-12034, AK-51760, BR-51760, CJ-00970, SC-50065, SMR000109008, ST037757, SY027943, ZB004487, AB0008745, TR-013561, 4CH-007259, AM20061112, E1089, FT-0652971, ST24030420, 4-Ethyl-benzothiazole-2-carboxylic acid anion, EN300-25508, MFCD00848360 (97%), C-5853, 137E761, AK-249/36420010, SR-01000452364, 11X-0926, I09-1211, J-018650, J-521244, SR-01000452364-1, BRD-K89065022-001-01-4, A2478/0105269, InChI=1/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H, C10H9NO2S, CID640708, A5786, 2-Benzothiazolecarboxylic acid, ethyl ester (6CI,9CI), Ethyl 1,3-benzothiazole-2-carboxylate, 97% - 1G 1g,

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	2.9

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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