AG00CIV6

425392-45-6 | Ethyl 5-chloro-1,3-thiazole-4-carboxylate

AG00CIV6

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CAS Number	425392-45-6
Catalog Number	AG00CIV6(AGN-PC-0CKAAP)
Chemical Name	Ethyl 5-chloro-1,3-thiazole-4-carboxylate
IUPAC Name	ethyl 5-chloro-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C6H6ClNO2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2H2,1H3
InChI Key	FUWZDBRUOMUDCX-UHFFFAOYSA-N
MDL Number	MFCD22494956
Molecular Formula	C6H6ClNO2S
Molecular Weight	191.6353
SMILES	CCOC(=O)C1=C(Cl)SC=N1
Synonyms	Ethyl 5-chlorothiazole-4-carboxylate, 425392-45-6, ethyl 5-chloro-1,3-thiazole-4-carboxylate, SCHEMBL691044, CTK8C1559, KS-00000QLY, DTXSID00729880, FUWZDBRUOMUDCX-UHFFFAOYSA-N, ethyl 5-chlorothiazol-4-carboxylate, 5872AB, ANW-66890, MFCD22494956, ZINC85224474, AKOS016008159, CS-W020679, AK-95298, DS-18029, AB0069782, AJ-127520, ST2413036, TC-155635, 4CH-016613, 5-chlorothiazole-4-carboxylic acid ethyl ester, C6H6ClNO2S,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.981g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.629g/mol
Monoisotopic Mass	190.981g/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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