AG0020WR

1753-75-9 | 5-Bromobenzo-2,1,3-thiadiazole

AG0020WR

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CAS Number	1753-75-9
Catalog Number	AG0020WR(AGN-PC-0KKXFG)
Chemical Name	5-Bromobenzo-2,1,3-thiadiazole
IUPAC Name	5-bromo-2,1,3-benzothiadiazole
InChI	InChI=1S/C6H3BrN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChI Key	LLCRUZDFDGTAAN-UHFFFAOYSA-N
MDL Number	MFCD00460091
Molecular Formula	C6H3BrN2S
Molecular Weight	215.0704
SMILES	BrC1=CC2=NSN=C2C=C1
Synonyms	5-bromo-2,1,3-benzothiadiazole, 1753-75-9, 5-Bromobenzo[c][1,2,5]thiadiazole, 5-Bromobenzo-2,1,3-thiadiazole, 2,1,3-Benzothiadiazole, 5-bromo-, 5-bromobenzo[1,2,5]thiadiazole, 2,1,3-Benzothiadiazole,5-bromo-, AK-62471, W-206224, PubChem12684, AC1MCQV2, ACMC-209ea1, SCHEMBL19707, AMTH068, 5-bromobenz-2,1,3-thiadiazole, CTK4D5909, DTXSID80379963, LLCRUZDFDGTAAN-UHFFFAOYSA-N, ZINC158664, ZXBA000592, 5-bromo-benzo[1,2,5]thiadiazole, 5-Bromo-benzo[2,1,3]thiadiazole, 5-bromanyl-2,1,3-benzothiadiazole, 5-bromobenzo[c]1,2,5-thiadiazole, ZX-AT003500, 5-bromo-[2,1,3]-benzothiadiazole, ANW-22775, EBD213462, MFCD00460091, SBB095059, AKOS003197225, ACM1753759, AS-2043, FCH1322511, OR23131, RP04950, KS-0000226U, 5-Bromo-2,1,3-benzothiadiazole, 95%, AJ-15293, CJ-01802, SY039598, ZB007010, AB0003009, AX8102598, BB0300756, DB-026325, TX-012109, CS-0036497, FT-0620065, ST24044541, MFCD00460091 (95%), B-3811, A812079, S14-2021, C6H3BrN2S, ZINC00158664, CID2776295,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.92g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.068g/mol
Monoisotopic Mass	213.92g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number