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Home > Nitro Compounds > 18312-71-5
18312-71-5 | Acetophenone, 2,2''-sulfonyldi-, mono[(p-nitrophenyl)hydrazone] (8CI)
CAS No: 18312-71-5 Catalog No: AG0024F1 MDL No:
Product Description
Catalog Number:
AG0024F1
Chemical Name:
Acetophenone, 2,2''-sulfonyldi-, mono[(p-nitrophenyl)hydrazone] (8CI)
CAS Number:
18312-71-5
Molecular Formula:
C22H19N3O5S
Molecular Weight:
437.4684
IUPAC Name:
2-[2-[(4-nitrophenyl)hydrazinylidene]-2-phenylethyl]sulfonyl-1-phenylethanone
InChI:
InChI=1S/C22H19N3O5S/c26-22(18-9-5-2-6-10-18)16-31(29,30)15-21(17-7-3-1-4-8-17)24-23-19-11-13-20(14-12-19)25(27)28/h1-14,23H,15-16H2
InChI Key:
KDQIYBWJWYUYQL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CS(=O)(=O)CC(=NNc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.105g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.47g/mol
Monoisotopic Mass:
437.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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