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72015-23-7 | 1,3,4-Oxadiazole, 2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-
CAS No: 72015-23-7 Catalog No: AG005DL0 MDL No:
Product Description
Catalog Number:
AG005DL0
Chemical Name:
1,3,4-Oxadiazole, 2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-
CAS Number:
72015-23-7
Molecular Formula:
C12H9Cl3N2O
Molecular Weight:
303.5717
IUPAC Name:
2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C12H9Cl3N2O/c1-8-2-4-9(5-3-8)6-7-10-16-17-11(18-10)12(13,14)15/h2-7H,1H3
InChI Key:
YOUNVIODQAWDAN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=Cc1nnc(o1)C(Cl)(Cl)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.978g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.567g/mol
Monoisotopic Mass:
301.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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