AG00HT7Y

1341040-15-0 | 1,2-Benzisothiazole, 6-Bromo-2,3-Dihydro-, 1,1-Dioxide

AG00HT7Y

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CAS Number	1341040-15-0
Catalog Number	AG00HT7Y(AGN-PC-0WG3WS)
Chemical Name	1,2-Benzisothiazole, 6-Bromo-2,3-Dihydro-, 1,1-Dioxide
IUPAC Name	6-bromo-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
InChI	InChI=1S/C7H6BrNO2S/c8-6-2-1-5-4-9-12(10,11)7(5)3-6/h1-3,9H,4H2
InChI Key	DGGJJLFEMYWPIT-UHFFFAOYSA-N
MDL Number	MFCD09842514
Molecular Formula	C7H6BrNO2S
Molecular Weight	248.0970
SMILES	BrC1=CC2=C(CNS2(=O)=O)C=C1
Synonyms	1341040-15-0, 1,2-Benzisothiazole, 6-bromo-2,3-dihydro-, 1,1-dioxide, 6-Bromo-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide, SCHEMBL14822228, DGGJJLFEMYWPIT-UHFFFAOYSA-N, MFCD09842514, ZINC96032032, AS-39569, CS-0038908, 6-bromo-2,3-dihydro-benzo[d]isothiazole 1,1-dioxide, 6-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

Lot Number