AG003Q8T

172848-60-1 | Ethyl 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylate

AG003Q8T

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CAS Number	172848-60-1
Catalog Number	AG003Q8T(AGN-PC-0MWXIJ)
Chemical Name	Ethyl 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylate
IUPAC Name	ethyl 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C12H10N2O4S/c1-2-18-12(15)11-13-9(7-19-11)8-5-3-4-6-10(8)14(16)17/h3-7H,2H2,1H3
InChI Key	BFBMDVYVDBQXJL-UHFFFAOYSA-N
MDL Number	MFCD06797364
Molecular Formula	C12H10N2O4S
Molecular Weight	278.2838
SMILES	O=C(C1=NC(C2=CC=CC=C2[N+]([O-])=O)=CS1)OCC
Synonyms	172848-60-1, Ethyl 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylate, ETHYL 4-(2-NITROPHENYL)THIAZOLE-2-CARBOXYLATE, 4-(2-NITROPHENYL)-2-THIAZOLECARBOXYLIC ACID ETHYL ESTER, SCHEMBL2221712, KS-00000BEI, 6753AJ, MFCD06797364, ZINC34063062, AKOS010644154, AB29638, TRA0021082, ABA-5650547, AJ-86724, AS-31627, SY004981, AX8268679, DB-014520, TC-308267, FT-0764389, Ethyl4-(2-Nitrophenyl)thiazole-2-carboxylate, K-5304, MFCD06797364 (97+%), I14-20166, C12H10N2O4S, CID9993685, 93-55-0, N/A,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.036g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.282g/mol
Monoisotopic Mass	278.036g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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