AG00GJKC

81569-51-9 | 5-Thiazolecarboxylicacid,2-bromo-4-methyl-,methylester(9CI)

AG00GJKC

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CAS Number	81569-51-9
Catalog Number	AG00GJKC(AGN-PC-00KGZ3)
Chemical Name	5-Thiazolecarboxylicacid,2-bromo-4-methyl-,methylester(9CI)
IUPAC Name	methyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3
InChI Key	RKVCIABWEOYYOZ-UHFFFAOYSA-N
MDL Number	MFCD09998944
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	C(=O)(OC)c1sc(nc1C)Br
Synonyms	81569-51-9, Methyl 2-bromo-4-methylthiazole-5-carboxylate, Methyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate, 5-Thiazolecarboxylicacid,2-bromo-4-methyl-,methylester(9CI), SCHEMBL560326, DTXSID80515263, 2650AC, MFCD09998944, ZINC39121883, AKOS016011974, FCH1397480, AJ-98600, AK123310, AX8247488, CS-0054984, C6H6BrNO2S, 5-Thiazolecarboxylicacid,2-bromo-4-methyl-,methylester, 5-Thiazolecarboxylic acid, 2-bromo-4-methyl-, methyl ester (9CI),

Complexity	167
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	2
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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