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Home > Fluorides > 259271-22-2
259271-22-2 | 1,2,4-Oxadiazol-5(2H)-one, 3-[3-(trifluoromethyl)phenyl]-
CAS No: 259271-22-2 Catalog No: AG002R3N MDL No:MFCD12815752
Product Description
Catalog Number:
AG002R3N
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-[3-(trifluoromethyl)phenyl]-
CAS Number:
259271-22-2
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD12815752
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)6-3-1-2-5(4-6)7-13-8(15)16-14-7/h1-4H,(H,13,14,15)
InChI Key:
KYELIEUHUOQBJA-UHFFFAOYSA-N
SMILES:
O=c1o[nH]c(n1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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