AG00940E

1125409-85-9 | Ethyl 5-bromo-2-chlorothiazole-4-carboxylate

AG00940E

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CAS Number	1125409-85-9
Catalog Number	AG00940E(AGN-PC-0WBQ8I)
Chemical Name	Ethyl 5-bromo-2-chlorothiazole-4-carboxylate
IUPAC Name	ethyl 5-bromo-2-chloro-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C6H5BrClNO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChI Key	IAUOQHXDFFIRLP-UHFFFAOYSA-N
MDL Number	MFCD16615260
Molecular Formula	C6H5BrClNO2S
Molecular Weight	270.5314
SMILES	O=C(C1=C(Br)SC(Cl)=N1)OCC
Synonyms	Ethyl 5-bromo-2-chlorothiazole-4-carboxylate, 1125409-85-9, ethyl 5-bromo-2-chloro-1,3-thiazole-4-carboxylate, DTXSID60653410, MFCD16615260, ZINC31772040, AKOS015958327, AJ-84317, ST24047087, 2-Chloro-5-bromothiazole-4-carboxylic acid ethyl ester, F2158-0659,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.891g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.525g/mol
Monoisotopic Mass	268.891g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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