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Home > Nitro Compounds > 477847-60-2
477847-60-2 | 2-(5-nitro-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole
CAS No: 477847-60-2 Catalog No: AG00IN6U MDL No:MFCD02083279
Product Description
Catalog Number:
AG00IN6U
Chemical Name:
2-(5-nitro-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole
CAS Number:
477847-60-2
Molecular Formula:
C16H9N3O3S
Molecular Weight:
323.3260
MDL Number:
MFCD02083279
IUPAC Name:
2-(5-nitro-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C16H9N3O3S/c20-19(21)12-6-7-13-11(8-12)9-14(23-13)16-18-17-15(22-16)10-4-2-1-3-5-10/h1-9H
InChI Key:
WLECJMXZRVZJAZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc(s2)c1nnc(o1)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.326g/mol
Monoisotopic Mass:
323.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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