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88579-62-8 | 1,3,4-Oxadiazole, 2,5-dihydro-2,5-bis(trifluoromethyl)-
CAS No: 88579-62-8 Catalog No: AG004BDI MDL No:
Product Description
Catalog Number:
AG004BDI
Chemical Name:
1,3,4-Oxadiazole, 2,5-dihydro-2,5-bis(trifluoromethyl)-
CAS Number:
88579-62-8
Molecular Formula:
C4H2F6N2O
Molecular Weight:
208.0619
IUPAC Name:
2,5-bis(trifluoromethyl)-2,5-dihydro-1,3,4-oxadiazole
InChI:
InChI=1S/C4H2F6N2O/c5-3(6,7)1-11-12-2(13-1)4(8,9)10/h1-2H
InChI Key:
HMYZATUQQUXQCE-UHFFFAOYSA-N
SMILES:
FC(C1OC(N=N1)C(F)(F)F)(F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.063g/mol
Monoisotopic Mass:
208.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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