AG008Z2F

1202237-88-4 | Ethyl 5-bromothiazole-2-carboxylate

AG008Z2F

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CAS Number	1202237-88-4
Catalog Number	AG008Z2F(AGN-PC-0WAJM4)
Chemical Name	Ethyl 5-bromothiazole-2-carboxylate
IUPAC Name	ethyl 5-bromo-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2H2,1H3
InChI Key	KSXFDPQRVVZYQJ-UHFFFAOYSA-N
MDL Number	MFCD12032197
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	O=C(C1=NC=C(Br)S1)OCC
Synonyms	Ethyl 5-bromothiazole-2-carboxylate, 1202237-88-4, ethyl 5-bromo-1,3-thiazole-2-carboxylate, 5-Bromo-thiazole-2-carboxylic acid ethyl ester, SCHEMBL1641657, DTXSID10670354, KSXFDPQRVVZYQJ-UHFFFAOYSA-N, 3499AA, MFCD12032197, ZINC38540797, AKOS015152651, ACN-054384, NE63766, AJ-96515, AS-48707, EN001207, FT-0705255, 2-Thiazolecarboxylic acid, 5-bromo-, ethyl ester, C6H6BrNO2S, 41731-83-3,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.93g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.083g/mol
Monoisotopic Mass	234.93g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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