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914471-43-5 | 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
CAS No: 914471-43-5 Catalog No: AG003AWH MDL No:MFCD28399147
Product Description
Catalog Number:
AG003AWH
Chemical Name:
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
CAS Number:
914471-43-5
Molecular Formula:
C10H5BrFN5O3
Molecular Weight:
342.0808
MDL Number:
MFCD28399147
IUPAC Name:
3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C10H5BrFN5O3/c11-5-3-4(1-2-6(5)12)17-9(16-19-10(17)18)7-8(13)15-20-14-7/h1-3H,(H2,13,15)
InChI Key:
ZSTVBWKWXBVZJB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Br)n1c(=O)onc1c1nonc1N
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.956g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.084g/mol
Monoisotopic Mass:
340.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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