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Home > Nitro Compounds > 321434-01-9
321434-01-9 | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-phenoxyaniline
CAS No: 321434-01-9 Catalog No: AG00INXO MDL No:MFCD00214850
Product Description
Catalog Number:
AG00INXO
Chemical Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-phenoxyaniline
CAS Number:
321434-01-9
Molecular Formula:
C20H16N2O5S
Molecular Weight:
396.4164
MDL Number:
MFCD00214850
IUPAC Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-phenoxyaniline
InChI:
InChI=1S/C20H16N2O5S/c23-22(24)20(28(25,26)19-9-5-2-6-10-19)15-21-16-11-13-18(14-12-16)27-17-7-3-1-4-8-17/h1-15,21H/b20-15+
InChI Key:
GMJRTHIULJPMNN-HMMYKYKNSA-N
SMILES:
[O-][N+](=O)/C(=C\Nc1ccc(cc1)Oc1ccccc1)/S(=O)(=O)c1ccccc1
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
396.078g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.417g/mol
Monoisotopic Mass:
396.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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