Home Carboxys Ethyl 4-(4-nitrophenyl)thiazole-2-carboxylate

Ethyl 4-(4-nitrophenyl)thiazole-2-carboxylate

CAS No.:
53101-04-5
Catalog Number:
AG003Q92
Molecular Formula:
C12H10N2O4S
Molecular Weight:
278.2838
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Product Description
Catalog Number:
AG003Q92
Chemical Name:
Ethyl 4-(4-nitrophenyl)thiazole-2-carboxylate
CAS Number:
53101-04-5
Molecular Formula:
C12H10N2O4S
Molecular Weight:
278.2838
MDL Number:
MFCD06797363
IUPAC Name:
ethyl 4-(4-nitrophenyl)-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C12H10N2O4S/c1-2-18-12(15)11-13-10(7-19-11)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3
InChI Key:
BAWZXPJKMSLAOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
339  
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  
Properties