Home Carboxys ethyl 5-(4-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate

ethyl 5-(4-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate

CAS No.:
1499368-76-1
Catalog Number:
AG01EII7
Molecular Formula:
C11H9FN2O3S
Molecular Weight:
268.2642
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Product Description
Catalog Number:
AG01EII7
Chemical Name:
ethyl 5-(4-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
CAS Number:
1499368-76-1
Molecular Formula:
C11H9FN2O3S
Molecular Weight:
268.2642
MDL Number:
MFCD23447451
IUPAC Name:
ethyl 5-(4-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
InChI:
InChI=1S/C11H9FN2O3S/c1-2-16-10(15)9-13-14-11(18-9)17-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3
InChI Key:
YHJILCXAPSEZRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(s1)Oc1ccc(cc1)F
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.032g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.262g/mol
Monoisotopic Mass:
268.032g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties