AG008TXR

1053655-63-2 | Methyl 2-Bromo-5-Chloro-1,3-Thiazole-4-Carboxylate

AG008TXR

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CAS Number	1053655-63-2
Catalog Number	AG008TXR(AGN-PC-05SPIX)
Chemical Name	Methyl 2-Bromo-5-Chloro-1,3-Thiazole-4-Carboxylate
IUPAC Name	methyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C5H3BrClNO2S/c1-10-4(9)2-3(7)11-5(6)8-2/h1H3
InChI Key	LUGAGMHCJHFNFH-UHFFFAOYSA-N
MDL Number	MFCD08704624
Molecular Formula	C5H3BrClNO2S
Molecular Weight	256.5048
SMILES	O=C(C1=C(Cl)SC(Br)=N1)OC
Synonyms	Methyl 2-bromo-5-chlorothiazole-4-carboxylate, 1053655-63-2, Methyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate, W-204564, MFCD08704624, SCHEMBL16397410, CTK6J1238, DTXSID90653281, LUGAGMHCJHFNFH-UHFFFAOYSA-N, ZX-AT003937, ZINC30677826, AKOS015835058, FCH1389645, HT11273, OR40279, PS-5020, QC-6407, RP06253, KS-00002X25, AJ-83934, AK126284, AB0039449, AX8242397, DB-059340, TR-039030, 4CH-022223, FT-0685469, ST24047689, Y6919, K-0492, 2-Bromo-5-chloro-4-(methoxycarbonyl)-1,3-thiazole, J-521960, C5H3BrClNO2S, methyl 2-bromo-5-chlorothiazole-4-carboxylate, 95% - 1G 1g,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.876g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.498g/mol
Monoisotopic Mass	254.876g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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