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Home > Nitro Compounds > 88380-57-8
88380-57-8 | Methanesulfonamide, N-[5-methoxy-4-nitro-2-(phenylmethoxy)phenyl]-
CAS No: 88380-57-8 Catalog No: AG004M9K MDL No:
Product Description
Catalog Number:
AG004M9K
Chemical Name:
Methanesulfonamide, N-[5-methoxy-4-nitro-2-(phenylmethoxy)phenyl]-
CAS Number:
88380-57-8
Molecular Formula:
C15H16N2O6S
Molecular Weight:
352.3623
IUPAC Name:
N-(5-methoxy-4-nitro-2-phenylmethoxyphenyl)methanesulfonamide
InChI:
InChI=1S/C15H16N2O6S/c1-22-15-8-12(16-24(2,20)21)14(9-13(15)17(18)19)23-10-11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3
InChI Key:
NQEWISSQOFEXPX-UHFFFAOYSA-N
SMILES:
COc1cc(NS(=O)(=O)C)c(cc1[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.361g/mol
Monoisotopic Mass:
352.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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