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Home > Nitro Compounds > 89333-93-7
89333-93-7 | 1,2,4-Oxadiazole, 3-(4-nitrophenyl)-5-[(4-nitrophenyl)thio]-
CAS No: 89333-93-7 Catalog No: AG003ZGY MDL No:
Product Description
Catalog Number:
AG003ZGY
Chemical Name:
1,2,4-Oxadiazole, 3-(4-nitrophenyl)-5-[(4-nitrophenyl)thio]-
CAS Number:
89333-93-7
Molecular Formula:
C14H8N4O5S
Molecular Weight:
344.3021
IUPAC Name:
3-(4-nitrophenyl)-5-(4-nitrophenyl)sulfanyl-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8N4O5S/c19-17(20)10-3-1-9(2-4-10)13-15-14(23-16-13)24-12-7-5-11(6-8-12)18(21)22/h1-8H
InChI Key:
WHBZBBQPHDROCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Sc1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.022g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.301g/mol
Monoisotopic Mass:
344.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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