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886498-64-2 | Ethyl 2-(3-Fluoro-phenylamino)-thiazole-4-carboxylate
CAS No: 886498-64-2 Catalog No: AG01F8DB MDL No:
Product Description
Catalog Number:
AG01F8DB
Chemical Name:
Ethyl 2-(3-Fluoro-phenylamino)-thiazole-4-carboxylate
CAS Number:
886498-64-2
Molecular Formula:
C12H11FN2O2S
Molecular Weight:
266.2913
IUPAC Name:
ethyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C12H11FN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,14,15)
InChI Key:
HUVMSWLNUJPOOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)Nc1cccc(c1)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.29g/mol
Monoisotopic Mass:
266.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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