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74531-87-6 | Oxamic acid, N-(4-phenyl-2-thiazolyl)-, ethyl ester
CAS No: 74531-87-6 Catalog No: AG005ARH MDL No:
Product Description
Catalog Number:
AG005ARH
Chemical Name:
Oxamic acid, N-(4-phenyl-2-thiazolyl)-, ethyl ester
CAS Number:
74531-87-6
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
IUPAC Name:
ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
InChI:
InChI=1S/C13H12N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChI Key:
JSDDXJXVRWCEBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1scc(n1)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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