AG00G50G

80416-76-8 | 2(3H)-Benzothiazolone,7-chloro-(9CI)

AG00G50G

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CAS Number	80416-76-8
Catalog Number	AG00G50G(AGN-PC-00LKNJ)
Chemical Name	2(3H)-Benzothiazolone,7-chloro-(9CI)
IUPAC Name	7-chloro-3H-1,3-benzothiazol-2-one
InChI	InChI=1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key	MLYFRFPTIGFBDU-UHFFFAOYSA-N
MDL Number	MFCD09752319
Molecular Formula	C7H4ClNOS
Molecular Weight	185.6308
SMILES	O=C1SC2=C(Cl)C=CC=C2N1
Synonyms	7-Chlorobenzo[d]thiazol-2(3H)-one, 80416-76-8, 7-chloro-3H-1,3-benzothiazol-2-one, 2(3H)-Benzothiazolone,7-chloro-(9CI), AK128743, 7-chloro-2,3-dihydro-1,3-benzothiazol-2-one, SCHEMBL9806021, 7-Chloro-2(3H)-benzothiazolone, DTXSID00530150, MLYFRFPTIGFBDU-UHFFFAOYSA-N, 2533AC, FCH869937, MFCD09752319, ZINC39427296, AKOS006327127, DS-5924, 7-Chloro-1,3-benzothiazol-2(3H)-one, SC-83447, AJ-100291, AX8250805, CS-0043170, C7H4ClNOS, 2 -Benzothiazolone,7-chloro-, 2(3H)-Benzothiazolone, 7-chloro- (9CI), 7-Chlorobenzo[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	184.97g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.625g/mol
Monoisotopic Mass	184.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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