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1255783-18-6 | 1,2,4-Oxadiazole-5-carboxylic acid, 3-[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]-, hydrazide
CAS No: 1255783-18-6 Catalog No: AG000NWD MDL No:MFCD17780208
Product Description
Catalog Number:
AG000NWD
Chemical Name:
1,2,4-Oxadiazole-5-carboxylic acid, 3-[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]-, hydrazide
CAS Number:
1255783-18-6
Molecular Formula:
C11H8FN7O2
Molecular Weight:
289.2253
MDL Number:
MFCD17780208
IUPAC Name:
3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carbohydrazide
InChI:
InChI=1S/C11H8FN7O2/c12-6-2-1-3-7(4-6)19-5-8(16-18-19)9-14-11(21-17-9)10(20)15-13/h1-5H,13H2,(H,15,20)
InChI Key:
NPUZPDNQGIQECZ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1onc(n1)c1nnn(c1)c1cccc(c1)F
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.23g/mol
Monoisotopic Mass:
289.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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