AG0034I2

3622-35-3 | Benzothiazole-6-carboxylic acid

AG0034I2

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CAS Number	3622-35-3
Catalog Number	AG0034I2(AGN-PC-0JTLON)
Chemical Name	Benzothiazole-6-carboxylic acid
IUPAC Name	1,3-benzothiazole-6-carboxylic acid
InChI	InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)
InChI Key	DMPZJACLHDWUFS-UHFFFAOYSA-N
MDL Number	MFCD00111651
Molecular Formula	C8H5NO2S
Molecular Weight	179.1958
SMILES	O=C(O)c1ccc2ncsc2(c1)
Synonyms	3622-35-3, Benzothiazole-6-carboxylic acid, 1,3-Benzothiazole-6-carboxylic acid, 6-Benzothiazolecarboxylic acid, benzo[d]thiazole-6-carboxylic acid, MFCD00111651, MLS001003038, DMPZJACLHDWUFS-UHFFFAOYSA-N, Benzothiazole-6-carboxylic acid, 96%, SMR000372672, zlchem 73, PubChem9871, Enamine_005417, AC1LCK4J, benzothiazole-6-carboxylic, AC1Q73RY, 6-Benzothiazolecarboxylicacid, SCHEMBL192332, 6-benzothiazole carboxylic acid, cid_601670, Jsp006465, CHEMBL1579917, CL-COB-III-274-2, BDBM47877, CTK1C2166, DTXSID80345067, ZLB0060, HMS1409G05, HMS2762E04, KUC111878N, ZINC158619, Benzo[d]thiazole-6-carboxylic?acid, ACT02352, ALBB-015542, BCP27985, ANW-47543, BBL010424, SBB053276, STK716497, AKOS000813891, AB03450, AC-2614, CS-W017274, FS-1108, MCULE-8142958657, RP24055, TRA0065818, VT10163, 1,3-Benzothiazole-6-carboxylic acid #, AJ-15259, AK-25852, AN-13771, BR-25852, EN000358, SC-03835, AB0001906, AB1007867, DB-022589, ST2419126, TR-014877, FT-0622733, ST50949636, W5765, A18689, S-4330, 622B353, AR-009/42290059, J-518259, S04-0061, Z56899168, F2167-0006, InChI=1/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11, C8H5NO2S, CID601670, BENZOTHIAZOLE-6-CARBOXYLICACID, 6-Benzothiazolecarboxylic acid (6CI,7CI,8CI,9CI),

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.193g/mol
Monoisotopic Mass	179.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number