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137888-30-3 | 1,3,4-Oxadiazole, 2-(2-phenylethynyl)-5-(trichloromethyl)-
CAS No: 137888-30-3 Catalog No: AG001416 MDL No:
Product Description
Catalog Number:
AG001416
Chemical Name:
1,3,4-Oxadiazole, 2-(2-phenylethynyl)-5-(trichloromethyl)-
CAS Number:
137888-30-3
Molecular Formula:
C11H5Cl3N2O
Molecular Weight:
287.5292
IUPAC Name:
2-(2-phenylethynyl)-5-(trichloromethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C11H5Cl3N2O/c12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8/h1-5H
InChI Key:
ALCCMGHQXWDTFK-UHFFFAOYSA-N
SMILES:
ClC(c1nnc(o1)C#Cc1ccccc1)(Cl)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.947g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.524g/mol
Monoisotopic Mass:
285.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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