AG00IIDU

946-13-4 | 2-Benzothiazolecarboxylic acid, 6-methoxy-

AG00IIDU

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CAS Number	946-13-4
Catalog Number	AG00IIDU(AGN-PC-0JTILG)
Chemical Name	2-Benzothiazolecarboxylic acid, 6-methoxy-
IUPAC Name	6-methoxy-1,3-benzothiazole-2-carboxylic acid
InChI	InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key	JDKMYJZEGZZJOH-UHFFFAOYSA-N
MDL Number	MFCD01119043
Molecular Formula	C9H7NO3S
Molecular Weight	209.2218
SMILES	O=C(C1=NC2=CC=C(OC)C=C2S1)O
Synonyms	946-13-4, 6-methoxybenzothiazole-2-carboxylic acid, 6-methoxybenzo[d]thiazole-2-carboxylic acid, 6-Methoxy-1,3-benzothiazole-2-carboxylic acid, 2-Benzothiazolecarboxylic acid, 6-methoxy-, CBDivE_007587, rarechem al bo 0241, AC1LC9AT, timtec-bb sbb005598, TimTec1_007174, Oprea1_034387, Oprea1_667520, CBDivE_000842, SCHEMBL3634489, CTK3I5777, DTXSID50344421, JDKMYJZEGZZJOH-UHFFFAOYSA-N, ZINC340142, ANW-61659, MFCD01119043, SBB005598, AKOS000678718, MCULE-5261994676, RP26500, 6-methoxy-2-benzothiazolecarboxylic acid, 2-Benzothiazolecarboxylicacid, 6-methoxy-, 6-Methoxy-benzothiazole-2-carboxylic acid, AJ-19922, AS-19981, EN000624, ST058360, AB1009223, TC-150404, Benzothiazole-2-carboxylic acid, 6-methoxy-, CS-0067221, FT-0687583, ST24045462, Z3046, 6-methoxybenzothiazole-2-carboxylic acid ,97%, 6-Methoxy-1,3-benzothiazole-2-carboxylic acid #, A845023, J-518856, 6-methoxybenzothiazole-2-carboxylic acid, AldrichCPR, 2-benzothiazolecarboxylicacid,6-methoxy-(6ci,7ci,8ci,9ci), C9H7NO3S, CID596767, C-1297, 6-Methoxybenzothiazole-2-carboxylic acid, 97% - 1G 1g, 2-Benzothiazolecarboxylic acid, 6-methoxy- (6CI,7CI,8CI,9CI),

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.219g/mol
Monoisotopic Mass	209.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.7A^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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