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87938-01-0 | 1,3,4-Oxadiazole, 2,5-dihydro-2,2,5-trimethyl-5-(2,2,2-trichloroethoxy)-
CAS No: 87938-01-0 Catalog No: AG004EYT MDL No:
Product Description
Catalog Number:
AG004EYT
Chemical Name:
1,3,4-Oxadiazole, 2,5-dihydro-2,2,5-trimethyl-5-(2,2,2-trichloroethoxy)-
CAS Number:
87938-01-0
Molecular Formula:
C7H11Cl3N2O2
Molecular Weight:
261.5334
IUPAC Name:
2,2,5-trimethyl-5-(2,2,2-trichloroethoxy)-1,3,4-oxadiazole
InChI:
InChI=1S/C7H11Cl3N2O2/c1-5(2)11-12-6(3,14-5)13-4-7(8,9)10/h4H2,1-3H3
InChI Key:
NLKXXVIVHJNYOQ-UHFFFAOYSA-N
SMILES:
ClC(COC1(C)N=NC(O1)(C)C)(Cl)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.527g/mol
Monoisotopic Mass:
259.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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