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Home > Nitro Compounds > 89333-92-6
89333-92-6 | 1,2,4-Oxadiazole, 5-(1-naphthalenylthio)-3-(4-nitrophenyl)-
CAS No: 89333-92-6 Catalog No: AG003YE1 MDL No:
Product Description
Catalog Number:
AG003YE1
Chemical Name:
1,2,4-Oxadiazole, 5-(1-naphthalenylthio)-3-(4-nitrophenyl)-
CAS Number:
89333-92-6
Molecular Formula:
C18H11N3O3S
Molecular Weight:
349.3632
IUPAC Name:
5-naphthalen-1-ylsulfanyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C18H11N3O3S/c22-21(23)14-10-8-13(9-11-14)17-19-18(24-20-17)25-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChI Key:
NMMBXYZNKLRIQJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(n1)Sc1cccc2c1cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.052g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.364g/mol
Monoisotopic Mass:
349.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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