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1017346-04-1 | 1,3,4-Oxadiazole-2-ethanamine, 5-(4-fluorophenyl)-
CAS No: 1017346-04-1 Catalog No: AG0005C8 MDL No:
Product Description
Catalog Number:
AG0005C8
Chemical Name:
1,3,4-Oxadiazole-2-ethanamine, 5-(4-fluorophenyl)-
CAS Number:
1017346-04-1
Molecular Formula:
C10H10FN3O
Molecular Weight:
207.2043
IUPAC Name:
2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
InChI:
InChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)10-14-13-9(15-10)5-6-12/h1-4H,5-6,12H2
InChI Key:
OYZTXCWPJAPELQ-UHFFFAOYSA-N
SMILES:
NCCc1nnc(o1)c1ccc(cc1)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.208g/mol
Monoisotopic Mass:
207.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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