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Home > Nitro Compounds > 72805-26-6
72805-26-6 | N-[(2E)-1-[(4-Nitrophenyl)methoxy]-1,2-dihydropyridin-2-ylidene]benzenesulfonamide
CAS No: 72805-26-6 Catalog No: AG01F3PM MDL No:MFCD00958936
Product Description
Catalog Number:
AG01F3PM
Chemical Name:
N-[(2E)-1-[(4-Nitrophenyl)methoxy]-1,2-dihydropyridin-2-ylidene]benzenesulfonamide
CAS Number:
72805-26-6
Molecular Formula:
C18H15N3O5S
Molecular Weight:
385.3938
MDL Number:
MFCD00958936
IUPAC Name:
(NE)-N-[1-[(4-nitrophenyl)methoxy]pyridin-2-ylidene]benzenesulfonamide
InChI:
InChI=1S/C18H15N3O5S/c22-21(23)16-11-9-15(10-12-16)14-26-20-13-5-4-8-18(20)19-27(24,25)17-6-2-1-3-7-17/h1-13H,14H2/b19-18+
InChI Key:
FXRFNVYWCNCONI-VHEBQXMUSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)COn1cccc/c/1=N\S(=O)(=O)c1ccccc1
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
385.073g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.394g/mol
Monoisotopic Mass:
385.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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