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845306-17-4 | 1,2,4-Oxadiazole,5-(4-bromo-2-fluorophenyl)-3-methyl-
CAS No: 845306-17-4 Catalog No: AG004VIY MDL No:MFCD09261267
Product Description
Catalog Number:
AG004VIY
Chemical Name:
1,2,4-Oxadiazole,5-(4-bromo-2-fluorophenyl)-3-methyl-
CAS Number:
845306-17-4
Molecular Formula:
C9H6BrFN2O
Molecular Weight:
257.0591
MDL Number:
MFCD09261267
IUPAC Name:
5-(4-bromo-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H6BrFN2O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,1H3
InChI Key:
HSVLDONTNWZJBX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)c1onc(n1)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.062g/mol
Monoisotopic Mass:
255.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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