AG000QFT

1201633-72-8 | 7(4H)-Benzothiazolone, 2-bromo-5,6-dihydro-

AG000QFT

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CAS Number	1201633-72-8
Catalog Number	AG000QFT(AGN-PC-0730Y0)
Chemical Name	7(4H)-Benzothiazolone, 2-bromo-5,6-dihydro-
IUPAC Name	2-bromo-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI	InChI=1S/C7H6BrNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2
InChI Key	AINBODIOGRXMKN-UHFFFAOYSA-N
MDL Number	MFCD13250122
Molecular Formula	C7H6BrNOS
Molecular Weight	232.0976
SMILES	O=C1CCCC2=C1SC(Br)=N2
Synonyms	1201633-72-8, 2-Bromo-5,6-dihydrobenzo[d]thiazol-7(4H)-one, 2-Bromo-5,6-dihydro-4H-benzothiazol-7-one, 2-bromo-5,6-dihydro-1,3-benzothiazol-7(4H)-one, ARONIS23932, ARONIS023742, SCHEMBL6862670, CTK5I9075, DTXSID90657966, MFCD13250122, STL069445, ZINC38534534, AKOS005111438, FCH1382757, MCULE-1522638172, RP28001, AJ-95705, AK128252, AS-30186, SC-51120, 2-bromo-4,5,6-trihydrobenzothiazol-7-one, AB0070447, AX8250043, 4CH-024891, CS-0035918, ST24040130, ST45053062, 7(4H)-Benzothiazolone, 2-bromo-5,6-dihydro-, Z-9337, 2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.935g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.095g/mol
Monoisotopic Mass	230.935g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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