AG002YBS

2942-22-5 | Benzothiazole, 2-chloro-7-nitro-

AG002YBS

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CAS Number	2942-22-5
Catalog Number	AG002YBS(AGN-PC-07A9HB)
Chemical Name	Benzothiazole, 2-chloro-7-nitro-
IUPAC Name	2-chloro-7-nitro-1,3-benzothiazole
InChI	InChI=1S/C7H3ClN2O2S/c8-7-9-4-2-1-3-5(10(11)12)6(4)13-7/h1-3H
InChI Key	QJZBFYGAHQZGHF-UHFFFAOYSA-N
MDL Number	MFCD09749259
Molecular Formula	C7H3ClN2O2S
Molecular Weight	214.6289
SMILES	[O-][N+](=O)C1=CC=CC2=C1SC(Cl)=N2
Synonyms	2-Chloro-7-nitrobenzo[d]thiazole, 2942-22-5, 2-CHLORO-7-NITRO-1,3-BENZOTHIAZOLE, 2-CHLORO-7-NITRO-BENZOTHIAZOLE, AK-64847, BENZOTHIAZOLE, 2-CHLORO-7-NITRO-, 2-chloro-7-nitroBenzothiazole, SCHEMBL3293261, CTK8C2644, DTXSID90663385, QJZBFYGAHQZGHF-UHFFFAOYSA-N, ANW-68736, MFCD09749259, ZINC45238177, AKOS016006038, AB51278, ACM2942225, FCH1392925, DS-15661, AJ-110374, AX8216113, DB-020963, TC-157481, 4CH-021780, CS-0060622, FT-0703685, ST24040429, Benzothiazole,2-chloro-7-nitro-, Benzothiazole, 2-chloro-7-nitro- (7CI,8CI,9CI),

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.96g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.623g/mol
Monoisotopic Mass	213.96g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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