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287198-14-5 | 1,2,4-Oxadiazole, 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-
CAS No: 287198-14-5 Catalog No: AG002W8X MDL No:MFCD01764514
Product Description
Catalog Number:
AG002W8X
Chemical Name:
1,2,4-Oxadiazole, 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-
CAS Number:
287198-14-5
Molecular Formula:
C11H5ClF6N2O
Molecular Weight:
330.6136
MDL Number:
MFCD01764514
IUPAC Name:
5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C11H5ClF6N2O/c12-4-8-19-9(21-20-8)5-1-6(10(13,14)15)3-7(2-5)11(16,17)18/h1-3H,4H2
InChI Key:
OUOPGSAXEAUWIG-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.999g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.614g/mol
Monoisotopic Mass:
329.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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