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158042-17-2 | 1,2,4-Oxadiazole, 3,5-bis(4-chlorophenyl)-
CAS No: 158042-17-2 Catalog No: AG001PX4 MDL No:
Product Description
Catalog Number:
AG001PX4
Chemical Name:
1,2,4-Oxadiazole, 3,5-bis(4-chlorophenyl)-
CAS Number:
158042-17-2
Molecular Formula:
C14H8Cl2N2O
Molecular Weight:
291.1321
IUPAC Name:
3,5-bis(4-chlorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8Cl2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChI Key:
LCAYJEXSWVMEKN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1onc(n1)c1ccc(cc1)Cl
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.131g/mol
Monoisotopic Mass:
290.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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