AG003LUL

6583-06-8 | 4-Nitrobenzo[c][1,2,5]thiadiazole

AG003LUL

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CAS Number	6583-06-8
Catalog Number	AG003LUL(AGN-PC-0JLT05)
Chemical Name	4-Nitrobenzo[c][1,2,5]thiadiazole
EC Number	229-514-5
IUPAC Name	4-nitro-2,1,3-benzothiadiazole
InChI	InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H
InChI Key	IWQKAMJGVIHECB-UHFFFAOYSA-N
MDL Number	MFCD00068050
Molecular Formula	C6H3N3O2S
Molecular Weight	181.1719
NSC Number	404747
SMILES	[O-][N+](=O)C1=CC=CC2=NSN=C12
Synonyms	4-Nitro-2,1,3-benzothiadiazole, 6583-06-8, 4-nitrobenzo[c][1,2,5]thiadiazole, 4-Nitropiazthiole, 2,1,3-Benzothiadiazole, 4-nitro-, NSC404747, CHEMBL383084, 4-Nitro-1,2,3-benzothiadiazole, 4-Nitro-benzo[1,2,5]thiadiazole, 4-nitrobenzo[c]1,2,5-thiadiazole, ACMC-1B59L, Oprea1_370043, 4-Bromo-2,8-dimethylphenol, C6H3N3O2S, 4-Nitro-2,3-benzothiadiazole, AC1L30J9, AC1Q202C, SCHEMBL2213406, CTK5C3163, 4-nitrobenzo-2,1,3-thiadiazole, DTXSID10216019, 2,3-Benzothiadiazole, 4-nitro-, IWQKAMJGVIHECB-UHFFFAOYSA-N, 2,1,3-Benzothiadiazole,4-nitro-, 4-Nitro-2,1, 3-benzothiadiazole, KS-000013RA, ZINC1509875, ZINC5218067, 4-nitro-2??,1,3-benzothiadiazole, EINECS 229-514-5, 0104AC, ANW-14057, BBL010516, BDBM50182128, MFCD00068050, SBB059625, STK801631, 4-Nitro-2,1,3-benzothiadiazole-SIV, AKOS000121215, AKOS000265049, MCULE-2759684167, NE60155, NE63212, NSC 404747, NSC-404747, 4-nitro-2lambda4,1,3-benzothiadiazole, 4-Nitro-2,1,3-benzothiadiazole, 99%, 4-nitro-2$l^{4},1,3-benzothiadiazole, AJ-26464, AS-38149, CJ-23772, 2-Aminopyridine-4-Carboxylicacidmethylester, AB1007175, DB-000243, TC-062253, FT-0619178, N0786, ST24043947, ST50406178, J3.665.762F, 4-(Hydroxy(oxido)amino)-2,1,3-benzothiadiazole, SR-01000390731, SR-01000390731-1, I14-15805, Z57055789, D0V8FG, methyl 2-aminoisonicotinate, CID81062, AR-1G3905, A1448, 6937-03-7,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.995g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.169g/mol
Monoisotopic Mass	180.995g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	99.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number