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1456-20-8 | 1,3,4-Oxadiazole, 2-phenyl-5-(trichloromethyl)-
CAS No: 1456-20-8 Catalog No: AG001D7Y MDL No:
Product Description
Catalog Number:
AG001D7Y
Chemical Name:
1,3,4-Oxadiazole, 2-phenyl-5-(trichloromethyl)-
CAS Number:
1456-20-8
Molecular Formula:
C9H5Cl3N2O
Molecular Weight:
263.5078
IUPAC Name:
2-phenyl-5-(trichloromethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H5Cl3N2O/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
ZJUAJDHQUFXWLV-UHFFFAOYSA-N
SMILES:
ClC(c1nnc(o1)c1ccccc1)(Cl)Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.947g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.502g/mol
Monoisotopic Mass:
261.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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