AG000Z7L

1295502-53-2 | 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-difluoro-

AG000Z7L

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CAS Number	1295502-53-2
Catalog Number	AG000Z7L(AGN-PC-0CZ2ML)
Chemical Name	2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-difluoro-
IUPAC Name	4,7-dibromo-5,6-difluoro-2,1,3-benzothiadiazole
InChI	InChI=1S/C6Br2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6
InChI Key	HFUBKQHDPJZQIW-UHFFFAOYSA-N
MDL Number	MFCD28369502
Molecular Formula	C6Br2F2N2S
Molecular Weight	329.9474
SMILES	BrC1=C(C(=C(C2=NSN=C21)Br)F)F
Synonyms	1295502-53-2, 4,7-Dibromo-5,6-difluorobenzo[c][1,2,5]thiadiazole, 4,7-dibromo-5,6-difluoro-2,1,3-benzothiadiazole, AK164466, SCHEMBL2727359, KS-00000SQP, HFUBKQHDPJZQIW-UHFFFAOYSA-N, BCP20989, MFCD28369502, AKOS025146618, ZINC145369012, CS-W004386, DS-8598, FCH3160756, SY032994, D4734, MFCD28369502 (95%), 4,7-Dibromo-5,6-difluoro-benzo[1,2,5]thiadiazole, J-514172, 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-difluoro-, 4,7-Dibromo-5,6-difluoro-benzo[c][1,2,5]thiadiazole, 4,7-Dibromo-5,6-difluorobenzo [c ][1,2,5]thiadiazole, 4,7-Dibromo-5,6-difluorobenzo[c][1,2,5]thiadiazole, 98% - 1G 1g,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.81g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	329.945g/mol
Monoisotopic Mass	327.812g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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