AG002C4O

199475-45-1 | 2(3H)-Benzothiazolone, 5-bromo-

AG002C4O

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CAS Number	199475-45-1
Catalog Number	AG002C4O(AGN-PC-0KLBOA)
Chemical Name	2(3H)-Benzothiazolone, 5-bromo-
IUPAC Name	5-bromo-3H-1,3-benzothiazol-2-one
InChI	InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key	BNWQDLHPYANRAV-UHFFFAOYSA-N
MDL Number	MFCD01312116
Molecular Formula	C7H4BrNOS
Molecular Weight	230.0818
SMILES	BrC1=CC2=C(SC(=O)N2)C=C1
Synonyms	5-Bromobenzo[d]thiazol-2(3H)-one, 199475-45-1, 5-Bromo-2(3H)-benzothiazolone, 5-bromo-3H-1,3-benzothiazol-2-one, 5-bromobenzothiazol-2-ol, 5-BROMO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-ONE, AK-87034, AC1MCUXY, PubChem21841, SCHEMBL289800, SCHEMBL18554384, CTK5I8240, CTK8B7311, DTXSID50384226, BNWQDLHPYANRAV-UHFFFAOYSA-N, 5-BROMO2-BENZOTHIAZOLINONE, 2(3H)-Benzothiazolone, 5-bromo-, ACT12113, KS-00000PP9, ZINC1046989, ANW-56990, MFCD01312116, SBB097539, AKOS016002367, FCH1318788, FS-3613, MCULE-4010583822, MP-1409, 5-bromanyl-3H-1,3-benzothiazol-2-one, AJ-24806, BC004677, CJ-04695, AX8225639, DB-029067, TC-145735, 4CH-011407, FT-0688530, ST24024002, Z4373, 5-BROMO-1,3-BENZOTHIAZOL-2(3H)-ONE, A814099, C7H4BrNOS, ZINC01046989, CID2801273, 5-Bromobenzo[d]thiazol-2(3H)-one, 97% - 10MG 10mg,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.92g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.079g/mol
Monoisotopic Mass	228.92g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number