AG01AC2F

79247-72-6 | ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate

AG01AC2F

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CAS Number	79247-72-6
Catalog Number	AG01AC2F(AGN-PC-035G58)
Chemical Name	ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
IUPAC Name	ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C10H15NO2S/c1-5-13-9(12)8-11-7(6-14-8)10(2,3)4/h6H,5H2,1-4H3
InChI Key	DCHMVIBNJJRJQS-UHFFFAOYSA-N
MDL Number	MFCD14654431
Molecular Formula	C10H15NO2S
Molecular Weight	213.2966
SMILES	O=C(C1=NC(C(C)(C)C)=CS1)OCC
Synonyms	Ethyl 4-(tert-butyl)thiazole-2-carboxylate, 79247-72-6, ethyl 4-tert-butylthiazole-2-carboxylate, ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate, SCHEMBL1397695, DCHMVIBNJJRJQS-UHFFFAOYSA-N, ZINC42407147, AKOS006147682, NE59276, SC-34815, AJ-104415,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.295g/mol
Monoisotopic Mass	213.082g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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