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Home > Fluorides > 886496-59-9
886496-59-9 | 4-(4-Fluoro-phenyl)-[1,2,4]triazole-3,5-dione
CAS No: 886496-59-9 Catalog No: AG01EYBK MDL No:
Product Description
Catalog Number:
AG01EYBK
Chemical Name:
4-(4-Fluoro-phenyl)-[1,2,4]triazole-3,5-dione
CAS Number:
886496-59-9
Molecular Formula:
C8H4FN3O2
Molecular Weight:
193.1347
IUPAC Name:
4-(4-fluorophenyl)-1,2,4-triazole-3,5-dione
InChI:
InChI=1S/C8H4FN3O2/c9-5-1-3-6(4-2-5)12-7(13)10-11-8(12)14/h1-4H
InChI Key:
MDTAFFPODYINGK-UHFFFAOYSA-N
SMILES:
O=C1N=NC(=O)N1c1ccc(cc1)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.137g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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