AG00D808

5198-76-5 | 2-Chloro-4-(chloromethyl)thiazole

AG00D808

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CAS Number	5198-76-5
Catalog Number	AG00D808(AGN-PC-0NCUOM)
Chemical Name	2-Chloro-4-(chloromethyl)thiazole
IUPAC Name	2-chloro-4-(chloromethyl)-1,3-thiazole
InChI	InChI=1S/C4H3Cl2NS/c5-1-3-2-8-4(6)7-3/h2H,1H2
InChI Key	HKVYINROOPCUIP-UHFFFAOYSA-N
MDL Number	MFCD09265510
Molecular Formula	C4H3Cl2NS
Molecular Weight	168.0443
SMILES	ClCC1=CSC(Cl)=N1
Synonyms	2-Chloro-4-(chloromethyl)thiazole, 5198-76-5, 2-chloro-4-(chloromethyl)-1,3-thiazole, MFCD09265510, ACMC-209kx2, SCHEMBL937324, CTK4J5217, 2-Chloro-4-chloromethyl-thiazole, DTXSID30448335, HKVYINROOPCUIP-UHFFFAOYSA-N, ANW-31380, ZINC15444540, AKOS006229552, 4-chloromethyl-2-chloro-1,3-thiazole, C2721G1, QC-6186, RP02544, Thiazole, 2-chloro-4-(chloromethyl)-, AJ-67531, AS-45759, BL003831, CJ-15153, AB0038107, DB-028393, TR-038903, FT-0685396, Y5458, K-9528, J-508689, C4H3Cl2NS, CID10920899,

Complexity	80.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.936g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.035g/mol
Monoisotopic Mass	166.936g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements

Certificate of Analysis

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