AG000Z2Q

1293389-28-2 | 2,1,3-Benzothiadiazole, 5,6-difluoro-

AG000Z2Q

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CAS Number	1293389-28-2
Catalog Number	AG000Z2Q(AGN-PC-0WAKJS)
Chemical Name	2,1,3-Benzothiadiazole, 5,6-difluoro-
IUPAC Name	5,6-difluoro-2,1,3-benzothiadiazole
InChI	InChI=1S/C6H2F2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChI Key	ZKBRJEYUJNJNCO-UHFFFAOYSA-N
MDL Number	MFCD28100486
Molecular Formula	C6H2F2N2S
Molecular Weight	172.1553
SMILES	FC=1C(=CC=2C(=NSN2)C1)F
Synonyms	5,6-difluorobenzo[c][1,2,5]thiadiazole, 1293389-28-2, 5,6-difluoro-2,1,3-benzothiadiazole, AK317205, SCHEMBL2726241, KS-00000SQQ, ZKBRJEYUJNJNCO-UHFFFAOYSA-N, MFCD28100486, 5,6-difluorobenzo[1,2,5]thiadiazole, AKOS027324268, ZINC145141465, CS-W004538, FCH2572526, 2,1,3-Benzothiadiazole, 5,6-difluoro-, 5,6-Difluorobenzo-[2,1,3]-thiadiazole, DS-11484, SY032995, D5246, MFCD28100486 (95%), ACN-043766,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.991g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.153g/mol
Monoisotopic Mass	171.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

Lot Number