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Home > Nitro Compounds > 840529-62-6
840529-62-6 | Benzenesulfonamide, N-[(4-methoxyphenyl)methylene]-4-nitro-
CAS No: 840529-62-6 Catalog No: AG004T7K MDL No:
Product Description
Catalog Number:
AG004T7K
Chemical Name:
Benzenesulfonamide, N-[(4-methoxyphenyl)methylene]-4-nitro-
CAS Number:
840529-62-6
Molecular Formula:
C14H12N2O5S
Molecular Weight:
320.3205
IUPAC Name:
N-[(4-methoxyphenyl)methylidene]-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H12N2O5S/c1-21-13-6-2-11(3-7-13)10-15-22(19,20)14-8-4-12(5-9-14)16(17)18/h2-10H,1H3
InChI Key:
SYEXOODTDVWDAQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.319g/mol
Monoisotopic Mass:
320.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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