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Home > Nitro Compounds > 339015-72-4
339015-72-4 | 5-[2-(methylsulfanyl)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS No: 339015-72-4 Catalog No: AG00IYQ8 MDL No:MFCD00975230
Product Description
Catalog Number:
AG00IYQ8
Chemical Name:
5-[2-(methylsulfanyl)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS Number:
339015-72-4
Molecular Formula:
C15H11N3O3S
Molecular Weight:
313.3311
MDL Number:
MFCD00975230
IUPAC Name:
5-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C15H11N3O3S/c1-22-13-5-3-2-4-12(13)15-16-14(17-21-15)10-6-8-11(9-7-10)18(19)20/h2-9H,1H3
InChI Key:
CWXZUUAOYFZPSH-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.331g/mol
Monoisotopic Mass:
313.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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