AG003DH5

67748-61-2 | Benzo[d]thiazole-2-carbonyl chloride

AG003DH5

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CAS Number	67748-61-2
Catalog Number	AG003DH5(AGN-PC-0KKXEC)
Chemical Name	Benzo[d]thiazole-2-carbonyl chloride
IUPAC Name	1,3-benzothiazole-2-carbonyl chloride
InChI	InChI=1S/C8H4ClNOS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H
InChI Key	AOIGQLLPWDXVGB-UHFFFAOYSA-N
MDL Number	MFCD03659697
Molecular Formula	C8H4ClNOS
Molecular Weight	197.6415
SMILES	O=C(Cl)C1=NC2=CC=CC=C2S1
Synonyms	1,3-benzothiazole-2-carbonyl chloride, 67748-61-2, Benzothiazole-2-carbonyl chloride, Benzo[d]thiazole-2-carbonyl chloride, 2-Benzothiazolecarbonylchloride, 2-Benzothiazolecarbonyl chloride, MFCD03659697, J-503872, AC1MCQTZ, ACMC-1B36M, SCHEMBL193533, benzothiazol-2-carbonyl chloride, CTK2F2520, DTXSID60379926, AOIGQLLPWDXVGB-UHFFFAOYSA-N, ACT08364, ZINC2509359, ZX-AT004462, Benzothiazole-2-carbonyl chloride ., BBL103886, SBB092214, STL557696, AKOS005208443, FCH1118486, OR23087, RP04131, Benzothiazole-2-carbonyl chloride, 95%, Benzothiazole-2-carboxylic acid chloride, PS-10927, TR-022740, BB 0260652, FT-0622732, Y9796, Y-9796, A835875, I14-31048, F2146-0389, ZINC02509359, CID2776254, 2-Benzothiazolecarbonyl chloride (9CI), 1,3-BENZOTHIAZOLE-2-CARBONYLCHLORIDE,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.97g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.636g/mol
Monoisotopic Mass	196.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H312-H319-H332
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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