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861238-44-0 | 5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS No: 861238-44-0 Catalog No: AG003M3P MDL No:MFCD03885006
Product Description
Catalog Number:
AG003M3P
Chemical Name:
5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS Number:
861238-44-0
Molecular Formula:
C14H8ClN3O3
Molecular Weight:
301.6846
MDL Number:
MFCD03885006
IUPAC Name:
5-(2-chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8ClN3O3/c15-12-4-2-1-3-11(12)14-16-13(17-21-14)9-5-7-10(8-6-9)18(19)20/h1-8H
InChI Key:
VAJPOGWNCSNRAY-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.686g/mol
Monoisotopic Mass:
301.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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