AG0096DC

111248-92-1 | 5-Bromo-1,3-dihydro-2,1-benzothiazole-2,2-dione

AG0096DC

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CAS Number	111248-92-1
Catalog Number	AG0096DC(AGN-PC-03FT6Y)
Chemical Name	5-Bromo-1,3-dihydro-2,1-benzothiazole-2,2-dione
IUPAC Name	5-bromo-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
InChI	InChI=1S/C7H6BrNO2S/c8-6-1-2-7-5(3-6)4-12(10,11)9-7/h1-3,9H,4H2
InChI Key	LYURFBYYEXMNJD-UHFFFAOYSA-N
MDL Number	MFCD20231137
Molecular Formula	C7H6BrNO2S
Molecular Weight	248.0970
SMILES	BrC=1C=CC2=C(CS(N2)(=O)=O)C1
Synonyms	111248-92-1, 5-Bromo-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide, 5-Bromo-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide, SCHEMBL15661473, LYURFBYYEXMNJD-UHFFFAOYSA-N, MFCD20231137, ZINC91304296, AM805565, CS-0038355, 5-Bromo-1,3-dihydro-2,1-benzothiazole 2,2-dioxide, 5-Bromo-1,3-dihydro-benzo[c]isothiazole2,2-dioxide, 5-bromo-1,3-dihydro-2lambda,1-benzothiazole-2,2-dione, Z2010041963, 2,1-Benzisothiazole, 5-bromo-1,3-dihydro-, 2,2-dioxide, 5-bromo-1,3-dihydro-2lambda6,1-benzothiazole-2,2-dione,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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