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86657-10-5 | 1,2,4-Oxadiazole, 5-phenyl-3-(trifluoromethyl)-
CAS No: 86657-10-5 Catalog No: AG004TDF MDL No:
Product Description
Catalog Number:
AG004TDF
Chemical Name:
1,2,4-Oxadiazole, 5-phenyl-3-(trifluoromethyl)-
CAS Number:
86657-10-5
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
IUPAC Name:
5-phenyl-3-(trifluoromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H5F3N2O/c10-9(11,12)8-13-7(15-14-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
RPGOTWKIEAPWBZ-UHFFFAOYSA-N
SMILES:
FC(c1noc(n1)c1ccccc1)(F)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.147g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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