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Home > Nitro Compounds > 81511-71-9
81511-71-9 | N-(4-Nitro-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 81511-71-9 Catalog No: AG01F4WA MDL No:
Product Description
Catalog Number:
AG01F4WA
Chemical Name:
N-(4-Nitro-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
81511-71-9
Molecular Formula:
C16H12N4O4S
Molecular Weight:
356.3559
IUPAC Name:
N-(4-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C16H12N4O4S/c21-14(17-12-6-8-13(9-7-12)20(22)23)10-25-16-19-18-15(24-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)
InChI Key:
IPEYOBIYNURYLB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(o1)c1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.058g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.356g/mol
Monoisotopic Mass:
356.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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