AG00I4BU

2207-28-5 | 2,​1,​3-​Benzothiadiazole, 4-​chloro-

AG00I4BU

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CAS Number	2207-28-5
Catalog Number	AG00I4BU(AGN-PC-0JOP8O)
Chemical Name	2,​1,​3-​Benzothiadiazole, 4-​chloro-
IUPAC Name	4-chloro-2,1,3-benzothiadiazole
InChI	InChI=1S/C6H3ClN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChI Key	IEKBSYUNNVXOCB-UHFFFAOYSA-N
MDL Number	MFCD17168971
Molecular Formula	C6H3ClN2S
Molecular Weight	170.6194
NSC Number	202729
SMILES	Clc1c2c(ccc1)nsn2
Synonyms	2207-28-5, 4-Chlorobenzo[c][1,2,5]thiadiazole, 4-chloro-2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole, 4-chloro-, NSC202729, AC1L77DQ, SCHEMBL10843606, 4-chlorobenz-2,1,3-thiadiazole, DTXSID10308221, IEKBSYUNNVXOCB-UHFFFAOYSA-N, ZINC1737180, AKOS005151944, FCH1166458, NSC-202729, AJ-31361, AK143734, AX8282974, CID305689,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.971g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.614g/mol
Monoisotopic Mass	169.971g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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