3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one - CAS 914471-43-5
Catalog: |
BB040197 |
Product Name: |
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one |
CAS: |
914471-43-5 |
Synonyms: |
3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one; 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one |
IUPAC Name: | 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one |
Description: | 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one (CAS# 914471-43-5 ) is a useful research chemical. |
Molecular Weight: | 342.08 |
Molecular Formula: | C10H5BrFN5O3 |
Canonical SMILES: | C1=CC(=C(C=C1N2C(=NOC2=O)C3=NON=C3N)Br)F |
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 |
LogP: | 1.94050 |
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Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.95598 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.95598 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 107 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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