AG009JFY

1352152-68-1 | 5-Bromo-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide

AG009JFY

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CAS Number	1352152-68-1
Catalog Number	AG009JFY(AGN-PC-0WG3WW)
Chemical Name	5-Bromo-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide
IUPAC Name	5-bromo-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
InChI	InChI=1S/C7H6BrNO2S/c8-6-1-2-7-5(3-6)4-9-12(7,10)11/h1-3,9H,4H2
InChI Key	DRTPDJJQGWIEFA-UHFFFAOYSA-N
MDL Number	MFCD27944151
Molecular Formula	C7H6BrNO2S
Molecular Weight	248.0970
SMILES	BrC=1C=CC2=C(CNS2(=O)=O)C1
Synonyms	1352152-68-1, 5-Bromo-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide, 5-Bromo-2,3-dihydro-benzo[d]isothiazole 1,1-dioxide, 1,2-Benzisothiazole,5-bromo-2,3-dihydro-,1,1-dioxide, SCHEMBL12077853, DRTPDJJQGWIEFA-UHFFFAOYSA-N, MFCD27944151, ZINC205112869, AS-54835, CS-0038989, 5-bromo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.93g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.094g/mol
Monoisotopic Mass	246.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

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