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Home > Nitro Compounds > 121779-69-9
121779-69-9 | Benzenesulfonamide, N-(2-benzoyl-4-nitrophenyl)-4-methoxy-
CAS No: 121779-69-9 Catalog No: AG0015ZF MDL No:
Product Description
Catalog Number:
AG0015ZF
Chemical Name:
Benzenesulfonamide, N-(2-benzoyl-4-nitrophenyl)-4-methoxy-
CAS Number:
121779-69-9
Molecular Formula:
C20H16N2O6S
Molecular Weight:
412.4158
IUPAC Name:
N-(2-benzoyl-4-nitrophenyl)-4-methoxybenzenesulfonamide
InChI:
InChI=1S/C20H16N2O6S/c1-28-16-8-10-17(11-9-16)29(26,27)21-19-12-7-15(22(24)25)13-18(19)20(23)14-5-3-2-4-6-14/h2-13,21H,1H3
InChI Key:
FOAWJDISHPCSHG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.073g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.416g/mol
Monoisotopic Mass:
412.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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