AG001ULS

16405-98-4 | Benzo[c][1,2,5]thiadiazole-5-carboxylic acid

AG001ULS

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CAS Number	16405-98-4
Catalog Number	AG001ULS(AGN-PC-0JTLWN)
Chemical Name	Benzo[c][1,2,5]thiadiazole-5-carboxylic acid
IUPAC Name	2,1,3-benzothiadiazole-5-carboxylic acid
InChI	InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)
InChI Key	YHMXJZVGBCACMT-UHFFFAOYSA-N
MDL Number	MFCD01647555
Molecular Formula	C7H4N2O2S
Molecular Weight	180.1839
SMILES	OC(=O)C1=CC2=NSN=C2C=C1
Synonyms	2,1,3-Benzothiadiazole-5-carboxylic acid, 16405-98-4, Benzo[c][1,2,5]thiadiazole-5-carboxylic acid, Benzo[1,2,5]thiadiazole-5-carboxylic acid, YHMXJZVGBCACMT-UHFFFAOYSA-N, MFCD01647555, 2??,1,3-benzothiadiazole-5-carboxylic acid, benzo[c]1,2,5-thiadiazole-5-carboxylic acid, 4ddm, AC1LCKTB, BAS 00898161, TimTec1_002664, SCHEMBL257289, AC1Q73W8, CTK0H3771, DTXSID80345128, HMS1541J02, ZINC128608, ALBB-029054, KS-00002A4W, ANW-66090, BBL010380, SBB007390, STK712974, AKOS000111661, AKOS002353602, AC-4619, CB-1805, CCG-110494, MCULE-7679976332, NE21110, PS-4267, RP03191, SDCCGMLS-0065945.P001, 2,1,3-Benzothiadiazole-5-carboxylicacid, NCGC00173877-01, AJ-12019, AN-11825, SC-13922, ST037629, SY039595, benzo-2,1,3-thiadiazole-5-carboxylic acid, DB-011260, TR-007047, [2,1,3]-benzothiadiazole-5-carboxylic acid, BB 0246856, benzo[1,2, 5]thiadiazole-5-carboxylic acid, FT-0609001, Y7738, MFCD01647555 (97%), L-4043, 2$l^{4},1,3-benzothiadiazole-5-carboxylic acid, 405B984, A810532, A810533, SR-01000479438, I09-0547, SR-01000479438-1, W-205931, 2,1,3-Benzothiadiazole-5-carboxylic acid, AldrichCPR, F0920-1420, F3099-5682, A2405/0101920, 0HO, 5-Oxo-L-Prolamide, C7H4N2O2S, CID602011,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.181g/mol
Monoisotopic Mass	179.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	91.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number